Skipping 2,576 KB.. Full Log

integrate_kbpp_e_band_local_new.F:74:0: note: loop vectorized
integrate_kbpp_e_band_local_new.F:74:0: note: loop peeled for vectorization to enhance alignment
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   integrate_kbpp_e_band_local.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   integrate_kbpp_e_band_local_new.F
integrate_kbpp_e_band_ray.F:201:0: note: loop vectorized
integrate_kbpp_e_band_ray.F:201:0: note: loop peeled for vectorization to enhance alignment
integrate_kbpp_e_band_ray.F:186:0: note: loop vectorized
integrate_kbpp_e_band_ray.F:186:0: note: loop peeled for vectorization to enhance alignment
integrate_kbpp_e_band_ray.F:179:0: note: loop vectorized
integrate_kbpp_e_band_ray.F:179:0: note: loop peeled for vectorization to enhance alignment
integrate_kbpp_e_band_ray.F:166:0: note: loop vectorized
integrate_kbpp_e_band_ray.F:166:0: note: loop peeled for vectorization to enhance alignment
integrate_kbpp_e_band_ray.F:161:0: note: loop vectorized
integrate_kbpp_e_band_ray.F:161:0: note: loop peeled for vectorization to enhance alignment
integrate_kbpp_e_band_ray.F:154:0: note: loop vectorized
integrate_kbpp_e_band_ray.F:154:0: note: loop peeled for vectorization to enhance alignment
integrate_kbpp_e_band_ray.F:144:0: note: loop vectorized
integrate_kbpp_e_band_ray.F:144:0: note: loop peeled for vectorization to enhance alignment
integrate_kbpp_e_band_ray.F:133:0: note: loop vectorized
integrate_kbpp_e_band_ray.F:133:0: note: loop peeled for vectorization to enhance alignment
integrate_kbpp_e_band_ray.F:120:0: note: loop vectorized
integrate_kbpp_e_band_ray.F:120:0: note: loop peeled for vectorization to enhance alignment
integrate_kbpp_e_band_ray.F:106:0: note: loop vectorized
integrate_kbpp_e_band_ray.F:106:0: note: loop peeled for vectorization to enhance alignment
integrate_kbpp_e_band_ray.F:58:0: note: loop vectorized
integrate_kbpp_e_band_ray.F:58:0: note: loop peeled for vectorization to enhance alignment
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   integrate_kbpp_e_band_ray.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   kbpp_e_band_stress.F
integrate_kbpp_e_band_stress_local.F:117:0: note: loop vectorized
integrate_kbpp_e_band_stress_local.F:117:0: note: loop peeled for vectorization to enhance alignment
integrate_kbpp_e_band_stress_local.F:106:0: note: loop vectorized
integrate_kbpp_e_band_stress_local.F:106:0: note: loop peeled for vectorization to enhance alignment
integrate_kbpp_e_band_stress_local.F:76:0: note: loop vectorized
integrate_kbpp_e_band_stress_local.F:76:0: note: loop versioned for vectorization because of possible aliasing
integrate_kbpp_e_band_stress_local.F:76:0: note: loop peeled for vectorization to enhance alignment
integrate_kbpp_e_band_stress_local_new.F:97:0: note: loop vectorized
integrate_kbpp_e_band_stress_local_new.F:97:0: note: loop versioned for vectorization because of possible aliasing
integrate_kbpp_e_band_stress_local_new.F:97:0: note: loop peeled for vectorization to enhance alignment
integrate_kbpp_e_band_stress_local_new.F:73:0: note: loop vectorized
integrate_kbpp_e_band_stress_local_new.F:73:0: note: loop peeled for vectorization to enhance alignment
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   integrate_kbpp_e_band_stress_local.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   integrate_kbpp_e_band_stress_local_new.F
integrate_kbpp_e_band_stress_ray.F:199:0: note: loop vectorized
integrate_kbpp_e_band_stress_ray.F:199:0: note: loop peeled for vectorization to enhance alignment
integrate_kbpp_e_band_stress_ray.F:192:0: note: loop vectorized
integrate_kbpp_e_band_stress_ray.F:192:0: note: loop peeled for vectorization to enhance alignment
integrate_kbpp_e_band_stress_ray.F:182:0: note: loop vectorized
integrate_kbpp_e_band_stress_ray.F:182:0: note: loop peeled for vectorization to enhance alignment
integrate_kbpp_e_band_stress_ray.F:170:0: note: loop vectorized
integrate_kbpp_e_band_stress_ray.F:170:0: note: loop peeled for vectorization to enhance alignment
integrate_kbpp_e_band_stress_ray.F:164:0: note: loop vectorized
integrate_kbpp_e_band_stress_ray.F:164:0: note: loop peeled for vectorization to enhance alignment
integrate_kbpp_e_band_stress_ray.F:149:0: note: loop vectorized
integrate_kbpp_e_band_stress_ray.F:149:0: note: loop peeled for vectorization to enhance alignment
integrate_kbpp_e_band_stress_ray.F:142:0: note: loop vectorized
integrate_kbpp_e_band_stress_ray.F:142:0: note: loop peeled for vectorization to enhance alignment
integrate_kbpp_e_band_stress_ray.F:126:0: note: loop vectorized
integrate_kbpp_e_band_stress_ray.F:126:0: note: loop peeled for vectorization to enhance alignment
integrate_kbpp_e_band_stress_ray.F:118:0: note: loop vectorized
integrate_kbpp_e_band_stress_ray.F:118:0: note: loop peeled for vectorization to enhance alignment
integrate_kbpp_e_band_stress_ray.F:65:0: note: loop vectorized
integrate_kbpp_e_band_stress_ray.F:65:0: note: loop peeled for vectorization to enhance alignment
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   integrate_kbpp_e_band_stress_ray.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   integrate_kbpp_e_band_stress_nonlocal.F
integrate_kbpp_e_band_stress_nonlocal.F:392:0: note: loop vectorized
integrate_kbpp_e_band_stress_nonlocal.F:392:0: note: loop peeled for vectorization to enhance alignment
integrate_kbpp_e_band_stress_nonlocal.F:340:0: note: loop vectorized
integrate_kbpp_e_band_stress_nonlocal.F:340:0: note: loop peeled for vectorization to enhance alignment
integrate_kbpp_e_band_stress_nonlocal.F:334:0: note: loop vectorized
integrate_kbpp_e_band_stress_nonlocal.F:334:0: note: loop peeled for vectorization to enhance alignment
integrate_kbpp_e_band_stress_nonlocal.F:257:0: note: loop vectorized
integrate_kbpp_e_band_stress_nonlocal.F:257:0: note: loop peeled for vectorization to enhance alignment
integrate_kbpp_e_band_stress_nonlocal.F:250:0: note: loop vectorized
integrate_kbpp_e_band_stress_nonlocal.F:250:0: note: loop peeled for vectorization to enhance alignment
integrate_kbpp_e_band_stress_nonlocal.F:147:0: note: loop vectorized
integrate_kbpp_e_band_stress_nonlocal.F:147:0: note: loop peeled for vectorization to enhance alignment
integrate_kbpp_e_band_stress_nonlocal.F:139:0: note: loop vectorized
integrate_kbpp_e_band_stress_nonlocal.F:139:0: note: loop peeled for vectorization to enhance alignment
integrate_kbpp_e_band_stress_nonlocal.F:65:0: note: loop vectorized
integrate_kbpp_e_band_stress_nonlocal.F:65:0: note: loop peeled for vectorization to enhance alignment
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   integrate_kbpp_e_band_stress_nonlocal_new.F
integrate_kbpp_e_band_stress_nonlocal_new.F:71:0: note: loop vectorized
integrate_kbpp_e_band_stress_nonlocal_new.F:71:0: note: loop peeled for vectorization to enhance alignment
make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/kbpp'
make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/kbpp'
Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.lock
ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.a cpsp_formatter_auto.o borbs_formatter.o kbpp_band.o kbpp_band_orb.o setup_kbpp_band.o integrate_kbpp_band_local.o integrate_kbpp_band_nonlocal.o integrate_kbpp_band_orb.o kbpp_band_ray.o integrate_kbpp_band_ray.o integrate_kbpp_band_local_new.o integrate_kbpp_band_nonlocal_new.o cpsp_stress_formatter_auto.o kbpp_band_stress.o integrate_kbpp_band_stress_local.o integrate_kbpp_band_stress_nonlocal.o integrate_kbpp_band_stress_ray.o integrate_kbpp_band_stress_local_new.o integrate_kbpp_band_stress_nonlocal_new.o HGH_band_local.o HGH_band_nonlocal.o Tesseral_band.o Spherical_band.o hghpp_band.o rkbpp_band.o kbpp_e_band.o integrate_kbpp_e_band_nonlocal.o integrate_kbpp_e_band_nonlocal_new.o integrate_kbpp_e_band_local.o integrate_kbpp_e_band_local_new.o integrate_kbpp_e_band_ray.o kbpp_e_band_stress.o integrate_kbpp_e_band_stress_local.o integrate_kbpp_e_band_stress_local_new.o integrate_kbpp_e_band_stress_ray.o integrate_kbpp_e_band_stress_nonlocal.o integrate_kbpp_e_band_stress_nonlocal_new.o
echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.a
/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.a
make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/kbpp'
make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/kbpp'
Making all in makepsi
make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/makepsi'
c_wvfnc_new.F:345:0: note: loop vectorized
c_wvfnc_new.F:345:0: note: loop vectorized
c_wvfnc_new.F: In function 'sub_c_wvfnc_new':
c_wvfnc_new.F:133:0: warning: 'IMAGPART_EXPR <cc>' may be used uninitialized in this function [-Wmaybe-uninitialized]
       double complex cc,cx,sx,zx,zc
 ^
c_wvfnc_new.F:133:0: warning: 'REALPART_EXPR <cc>' may be used uninitialized in this function [-Wmaybe-uninitialized]
make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/makepsi'
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   c_wvfnc_new.F
c_wvfnc_new.F:345:0: note: loop vectorized
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   c_wvfnc_expander.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   c_v_wvfnc_new.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   pspw_reformat_c_wvfnc.F
make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/makepsi'
make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/makepsi'
Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.lock
ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.a c_wvfnc_new.o c_wvfnc_expander.o c_v_wvfnc_new.o pspw_reformat_c_wvfnc.o
echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.a
/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.a
make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/makepsi'
make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/makepsi'
Making all in lib
make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib'
Making all in cpsp
make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/cpsp'
cpsp.F:339:0: note: loop vectorized
cpsp.F:339:0: note: loop peeled for vectorization to enhance alignment
cpsp.F:339:0: note: loop vectorized
cpsp.F:339:0: note: loop peeled for vectorization to enhance alignment
cpsp.F:491:0: note: loop vectorized
make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/cpsp'
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   cpsp.F
cpsp.F:592:0: note: loop vectorized
cpsp.F: In function 'cpsp_v_nonlocal':
cpsp.F:642:0: warning: 'occ1_shift' may be used uninitialized in this function [-Wmaybe-uninitialized]
       integer occ_tag,occ_shift,occ1_shift
 ^
cpsp.F:638:0: warning: 'g[2]' may be used uninitialized in this function [-Wmaybe-uninitialized]
       integer nfft3d,G(3),npack1,npack
 ^
cpsp.F:638:0: warning: 'g[1]' may be used uninitialized in this function [-Wmaybe-uninitialized]
cpsp.F:638:0: warning: 'g[0]' may be used uninitialized in this function [-Wmaybe-uninitialized]
cpsp.F: In function 'cpsp_f_vnonlocal':
cpsp.F:1228:0: warning: 'occ1_shift' may be used uninitialized in this function [-Wmaybe-uninitialized]
       integer occ1_tag,occ1_shift,occ_shift
 ^
cpsp.F:339:0: note: loop vectorized
cpsp.F:339:0: note: loop peeled for vectorization to enhance alignment
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   cpsp_relativistic.F
cpsp_relativistic.F:585:0: note: loop vectorized
cpsp_relativistic.F: In function 'cpsp_v_spin_orbit':
cpsp_relativistic.F:383:0: warning: 'g[2]' may be used uninitialized in this function [-Wmaybe-uninitialized]
       integer nfft3d,G(3),npack1,npack
 ^
cpsp_relativistic.F:383:0: warning: 'g[1]' may be used uninitialized in this function [-Wmaybe-uninitialized]
cpsp_relativistic.F:383:0: warning: 'g[0]' may be used uninitialized in this function [-Wmaybe-uninitialized]
cpsp_relativistic.F:1143:0: note: loop vectorized
cpsp_projector.F:46:0: note: loop vectorized
cpsp_projector.F:46:0: note: loop peeled for vectorization to enhance alignment
cpsp_stress.F:216:0: note: loop vectorized
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   cpsp_projector.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   cpsp_stress.F
cpsp_stress.F: In function 'cpsp_v_nonlocal_euv_2':
cpsp_stress.F:249:0: warning: 'occ1_shift' may be used uninitialized in this function [-Wmaybe-uninitialized]
       integer nproj,l_prj,psi1_shift,occ1_tag,occ1_shift,occ_shift
 ^
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   c_semicore.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   c_semicore_force.F
make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/cpsp'
make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/cpsp'
Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.lock
ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.a cpsp.o cpsp_relativistic.o cpsp_projector.o cpsp_stress.o c_semicore.o c_semicore_force.o
echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.a
/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.a
make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/cpsp'
make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/cpsp'
Making all in ke
make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/ke'
cke.F:53:0: note: loop vectorized
cke.F:53:0: note: loop versioned for vectorization because of possible aliasing
cke.F:53:0: note: loop peeled for vectorization to enhance alignment
make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/ke'
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   cke.F
cke.F:390:0: note: loop vectorized
cke.F:390:0: note: loop versioned for vectorization because of possible aliasing
cke.F:390:0: note: loop peeled for vectorization to enhance alignment
make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/ke'
make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/ke'
Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.lock
ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.a cke.o
echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.a
/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.a
make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/ke'
make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/ke'
Making all in coulomb
make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/coulomb'
c_coulomb.F:59:0: note: loop vectorized
c_coulomb.F:59:0: note: loop versioned for vectorization because of possible aliasing
c_coulomb.F:59:0: note: loop peeled for vectorization to enhance alignment
c_coulomb.F:59:0: note: loop vectorized
c_coulomb.F:59:0: note: loop versioned for vectorization because of possible aliasing
c_coulomb.F:59:0: note: loop peeled for vectorization to enhance alignment
make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/coulomb'
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   c_coulomb.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   c_coulomb_screened.F
make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/coulomb'
make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/coulomb'
Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.lock
ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.a c_coulomb.o c_coulomb_screened.o
echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.a
/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.a
make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/coulomb'
make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/coulomb'
Making all in electron
make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/electron'
c_electron.F:320.33:

     >                           dbl_mb(psi1_shift),                    
                                 1
Warning: Type mismatch in argument 'psi1' at (1); passed REAL(8) to COMPLEX(8)
c_electron.F:847:0: note: loop vectorized
c_electron.F:847:0: note: loop peeled for vectorization to enhance alignment
make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/electron'
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   c_electron.F
c_electron.F:847:0: note: loop vectorized
c_electron.F:847:0: note: loop versioned for vectorization because of possible aliasing
c_electron.F:847:0: note: loop peeled for vectorization to enhance alignment
cpsi_H.F: In function 'cpsi_h':
cpsi_H.F:148:0: warning: 'hpsir_shift' may be used uninitialized in this function [-Wmaybe-uninitialized]
             if (dohfx) Hpsir_shift = Hpsir_shift + nshift1
 ^
cpsi_H.F:33:0: note: 'hpsir_shift' was declared here
       integer psi_shift,Hpsi_shift,Hpsir_shift,nshift1,nshift2
 ^
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   cpsi_H.F
make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/electron'
make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/electron'
Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.lock
ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.a c_electron.o cpsi_H.o
echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.a
/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.a
make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/electron'
make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/electron'
Making all in psi
make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/psi'
make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/psi'
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   cpsi.F
cpsi.F:1019:0: note: loop vectorized
cpsi.F:1019:0: note: loop peeled for vectorization to enhance alignment
cpsi.F:1760:0: note: loop vectorized
cpsi.F:1760:0: note: loop versioned for vectorization because of possible aliasing
cpsi.F:1760:0: note: loop peeled for vectorization to enhance alignment
cpsi.F:2914:0: note: loop vectorized
cpsi.F:2914:0: note: loop versioned for vectorization because of possible aliasing
cpsi.F:2914:0: note: loop peeled for vectorization to enhance alignment
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   c_geodesic.F
cpsi_KS.F:1279.19:

     >             dbl_mb(psi1_shift+(i-1)*nshift))                     
                   1
Warning: Type mismatch in argument 'horb' at (1); passed REAL(8) to COMPLEX(8)
cpsi_KS.F:281.45:

           call cpsi_project_out_f_orb1(nb,i,dbl_mb(psi1_shift))        
                                             1
Warning: Type mismatch in argument 'horb' at (1); passed REAL(8) to COMPLEX(8)
cpsi_KS.F:1385.19:

     >             dbl_mb(psi_ptr))                                     
                   1
Warning: Type mismatch in argument 'horb' at (1); passed REAL(8) to COMPLEX(8)
cpsi_KS.F:370.45:

           call cpsi_project_out_f_orb1(nb,i,dbl_mb(psi1_shift))        
                                             1
Warning: Type mismatch in argument 'horb' at (1); passed REAL(8) to COMPLEX(8)
cpsi_KS.F:2333.46:

         call cpsi_project_out_virtual1(nb,ii,dbl_mb(epsi_ptr))         
                                              1
Warning: Type mismatch in argument 'horb' at (1); passed REAL(8) to COMPLEX(8)
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   cpsi_lmbda.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   cpsi_KS.F
cpsi_KS.F:1557:0: note: basic block vectorized
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   BGrsm.F
BGrsm.F:254:0: note: loop vectorized
BGrsm.F:254:0: note: loop peeled for vectorization to enhance alignment
BGrsm.F:180:0: note: loop vectorized
BGrsm.F:180:0: note: loop peeled for vectorization to enhance alignment
BGrsm.F:161:0: note: loop vectorized
BGrsm.F:161:0: note: loop peeled for vectorization to enhance alignment
BGrsm.F:180:0: note: loop vectorized
BGrsm.F:180:0: note: loop versioned for vectorization because of possible aliasing
BGrsm.F:180:0: note: loop peeled for vectorization to enhance alignment
BGrsm.F:236:0: note: loop vectorized
BGrsm.F:236:0: note: loop peeled for vectorization to enhance alignment
BGrsm.F:254:0: note: loop vectorized
BGrsm.F:254:0: note: loop versioned for vectorization because of possible aliasing
BGrsm.F:254:0: note: loop peeled for vectorization to enhance alignment
BGrsm.F:312:0: note: loop vectorized
BGrsm.F:312:0: note: loop peeled for vectorization to enhance alignment
BGrsm.F:418:0: note: loop vectorized
BGrsm.F:418:0: note: loop peeled for vectorization to enhance alignment
BGrsm.F:479:0: note: loop vectorized
BGrsm.F:479:0: note: loop peeled for vectorization to enhance alignment
BGrsm.F:609:0: note: loop vectorized
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   cpsi_spin2.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   c_check.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   cpsi_read.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   cpsi_write.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   cpsi_new.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   v_cpsi_new.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   v_cpsi_read.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   v_cpsi_write.F
make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/psi'
make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/psi'
Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.lock
ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.a cpsi.o c_geodesic.o cpsi_lmbda.o cpsi_KS.o BGrsm.o cpsi_spin2.o c_check.o cpsi_read.o cpsi_write.o cpsi_new.o v_cpsi_new.o v_cpsi_read.o v_cpsi_write.o
echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.a
/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.a
make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/psi'
make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/psi'
Making all in hfx
make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/hfx'
band_hfx.F:356.24:

     >                  dbl_mb(cpsi_data_get_chnk(psi_r_tag, nb1)),     
                        1
Warning: Type mismatch in argument 'psi_r' at (1); passed REAL(8) to COMPLEX(8)
band_hfx.F:370.26:

     >                    dbl_mb(cpsi_data_get_chnk(psi_r_tag, nb1)),   
                          1
Warning: Type mismatch in argument 'psi1_r' at (1); passed REAL(8) to COMPLEX(8)
band_hfx.F:421.26:

     >                    dbl_mb(cpsi_data_get_chnk(psi_r_tag,nb1)),    
                          1
Warning: Type mismatch in argument 'psi1_r' at (1); passed REAL(8) to COMPLEX(8)
band_hfx.F:467.26:

     >                    dbl_mb(cpsi_data_get_chnk(psi_r_tag,nb1)),    
                          1
Warning: Type mismatch in argument 'psi1_r' at (1); passed REAL(8) to COMPLEX(8)
band_hfx.F:497.24:

     >                  dbl_mb(cpsi_data_get_chnk(psi_r_tag, nb1)),     
                        1
Warning: Type mismatch in argument 'psi_r' at (1); passed REAL(8) to COMPLEX(8)
band_hfx.F:512.26:

     >                    dbl_mb(cpsi_data_get_chnk(psi_r_tag, nb1)),   
                          1
Warning: Type mismatch in argument 'psi1_r' at (1); passed REAL(8) to COMPLEX(8)
band_hfx.F:598.21:

     >               dbl_mb(cpsi_data_get_chnk(psi_r_tag,nbq2)),        
                     1
Warning: Type mismatch in argument 'psi1_r' at (1); passed REAL(8) to COMPLEX(8)
make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/hfx'
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   band_hfx.F
make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/hfx'
make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/hfx'
Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.lock
ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.a band_hfx.o
echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.a
/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.a
make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/hfx'
make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/hfx'
Making all in Grsm_list
make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/Grsm_list'
make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/Grsm_list'
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   band_Grsm_list.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   band_lmbfgs.F
make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/Grsm_list'
make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/Grsm_list'
Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.lock
ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.a band_Grsm_list.o band_lmbfgs.o
echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.a
/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.a
make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/Grsm_list'
make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/Grsm_list'
Making all in borbs
make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/borbs'
borbs.F:611.24:

     >                  dbl_mb(tmp(1)),dbl_mb(tmp2(1)),                 
                        1
Warning: Type mismatch in argument 'tmp' at (1); passed REAL(8) to COMPLEX(8)
borbs.F:662:0: note: loop vectorized
borbs.F:662:0: note: loop versioned for vectorization because of possible aliasing
borbs.F:662:0: note: loop peeled for vectorization to enhance alignment
make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/borbs'
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   borbs.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   borb_projector.F
make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/borbs'
make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/borbs'
Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.lock
ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.a borbs.o borb_projector.o
echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.a
/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.a
make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/borbs'
make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib/borbs'
make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib'
make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib'
make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/lib'
Making all in dplot
make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/dplot'
band_dplot_input.F:430:0: note: basic block vectorized
band_dplot_input.F:423:0: note: basic block vectorized
band_dplot_input.F:423:0: note: basic block vectorized
make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/dplot'
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   band_dplot_input.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   band_dplot.F
band_dplot.F:1672:0: note: loop vectorized
band_dplot.F:1304:0: note: loop vectorized
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   band_dplot_iteration.F
make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/dplot'
make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/dplot'
Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.lock
ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.a band_dplot_input.o band_dplot.o band_dplot_iteration.o
echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.a
/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.a
make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/dplot'
make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/dplot'
Making all in analysis
make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/analysis'
band_analysis.F:627:0: note: loop vectorized
band_analysis.F:627:0: note: loop peeled for vectorization to enhance alignment
band_analysis.F:524:0: note: loop vectorized
band_analysis.F:524:0: note: loop versioned for vectorization because of possible aliasing
band_analysis.F:524:0: note: loop peeled for vectorization to enhance alignment
band_analysis.F:482:0: note: loop vectorized
band_analysis.F:482:0: note: loop peeled for vectorization to enhance alignment
band_analysis.F:475:0: note: loop vectorized
band_analysis.F:475:0: note: loop peeled for vectorization to enhance alignment
band_analysis.F: In function 'band_analysis':
band_analysis.F:335:0: warning: 'sum_shift' may be used uninitialized in this function [-Wmaybe-uninitialized]
             WRITE(luout,1510) N,SPN(SPIN),dbl_mb(sum_shift+N-1),
 ^
band_analysis.F:52:0: note: 'sum_shift' was declared here
       integer A_shift,sum_shift,psi_shift,eig_shift
 ^
make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/analysis'
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   band_analysis.F
orb_pop_borb.F:197:0: note: loop vectorized
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   orb_pop_borb.F
make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/analysis'
make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/analysis'
Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.lock
ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.a band_analysis.o orb_pop_borb.o
echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.a
/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.a
make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/analysis'
make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band/analysis'
make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band'
Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.lock
ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.a band_input.o task_band.o band_energy.o band_noit_energy.o band_gradient.o band_stress.o
echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.a
/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libband.a
make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band'
make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/band'
Making all in ofpw
make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw'
make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw'
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   ofpw_energy.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   task_ofpw.F
make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw'
Making all in minimizer
make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/minimizer'
ofpw_minimizer.F: In function 'ofpw_minimizer':
ofpw_minimizer.F:508:0: warning: 'nion' may be used uninitialized in this function [-Wmaybe-uninitialized]
      >                 3*nion,dbl_mb(fion(1)))
 ^
ofpw_minimizer.F:63:0: note: 'nion' was declared here
       integer i,k,ia,nion,minimizer,mapping,mapping1d
 ^
make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/minimizer'
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I. -I../../nwpwlib/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   ofpw_minimizer.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I. -I../../nwpwlib/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   ofpw_cgsd_energy.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I. -I../../nwpwlib/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   ofpw_cgminimize.F
make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/minimizer'
make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/minimizer'
Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libofpw.lock
ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libofpw.a ofpw_minimizer.o ofpw_cgsd_energy.o ofpw_cgminimize.o
ar: creating /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libofpw.a
echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libofpw.a
/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libofpw.a
make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/minimizer'
make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/minimizer'
Making all in cpsd
make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/cpsd'
make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/cpsd'
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   ofpwsd.F
inner_loop_ofpw.F:574:0: note: loop vectorized
inner_loop_ofpw.F:224:0: note: loop vectorized
inner_loop_ofpw.F:224:0: note: loop peeled for vectorization to enhance alignment
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   inner_loop_ofpw.F
ftn -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec chi_lmbda.f
make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/cpsd'
make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/cpsd'
Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libofpw.lock
ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libofpw.a ofpwsd.o inner_loop_ofpw.o chi_lmbda.o
echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libofpw.a
/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libofpw.a
make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/cpsd'
make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/cpsd'
Making all in lib
make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/lib'
Making all in chi
make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/lib/chi'
make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/lib/chi'
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   chi_read.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   chi_write.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   chi_new.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   chi_expander.F
make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/lib/chi'
make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/lib/chi'
Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libofpw.lock
ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libofpw.a chi_read.o chi_write.o chi_new.o chi_expander.o
echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libofpw.a
/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libofpw.a
make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/lib/chi'
make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/lib/chi'
Making all in electron
make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/lib/electron'
make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/lib/electron'
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   chi_H.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   chi_Hv4.F
make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/lib/electron'
make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/lib/electron'
Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libofpw.lock
ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libofpw.a chi_H.o chi_Hv4.o
echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libofpw.a
/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libofpw.a
make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/lib/electron'
make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/lib/electron'
Making all in ke
make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/lib/ke'
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O   -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   v_thomasfermi.F
make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/lib/ke'
Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libofpw.lock
ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libofpw.a v_thomasfermi.o
echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libofpw.a
/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libofpw.a
make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/lib/ke'
make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/lib/ke'
Making all in WGC
make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/lib/WGC'
make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/lib/WGC'
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   wgc.F
make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/lib/WGC'
make[5]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/lib/WGC'
Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libofpw.lock
ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libofpw.a wgc.o
echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libofpw.a
/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libofpw.a
make[5]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/lib/WGC'
make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/lib/WGC'
make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/lib'
make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/lib'
make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw/lib'
make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw'
Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libofpw.lock
ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libofpw.a ofpw_energy.o task_ofpw.o
echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libofpw.a
/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libofpw.a
make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw'
make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw/ofpw'
make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw'
Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpw.lock
ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpw.a nwpw_input.o nwpw_default.o nwpw_vectors_input.o
ar: creating /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpw.a
echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpw.a
/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libnwpw.a
make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw'
make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/nwpw'
Making libraries in fft
make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/fft'
Making all in pfft1.0
make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/fft/pfft1.0'
Making all in fftpack
make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/fft/pfft1.0/fftpack'
make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/fft/pfft1.0/fftpack'
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM   dcfftb.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM   dcfftf.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM   dcffti.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM   dcftb1.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM   dcftf1.F
dcfti1.F: In function 'dcfti1':
dcfti1.F:16:0: warning: 'ntry' may be used uninitialized in this function [-Wmaybe-uninitialized]
       if (j.gt.4) ntry = ntry + 2
 ^
dpssb.F:122:0: note: loop vectorized
dpssb.F:80:0: note: loop vectorized
dpssb.F:80:0: note: loop versioned for vectorization because of possible aliasing
dpssb.F:73:0: note: loop vectorized
dpssb.F:73:0: note: loop versioned for vectorization because of possible aliasing
dpssb.F:73:0: note: loop peeled for vectorization to enhance alignment
dpssb.F:65:0: note: loop vectorized
dpssb.F:65:0: note: loop versioned for vectorization because of possible aliasing
dpssb.F:65:0: note: loop peeled for vectorization to enhance alignment
dpssb.F:53:0: note: loop vectorized
dpssb.F:53:0: note: loop versioned for vectorization because of possible aliasing
dpssb.F:53:0: note: loop peeled for vectorization to enhance alignment
dpssb.F:18:0: note: loop vectorized
dpssb.F:18:0: note: loop versioned for vectorization because of possible aliasing
dpssb.F:18:0: note: loop peeled for vectorization to enhance alignment
dpssb.F:98:0: note: basic block vectorized
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM   dcfti1.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM   dpssb.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM   dpssb2.F
dpssb2.F:17:0: note: loop vectorized
dpssb2.F:17:0: note: loop versioned for vectorization because of possible aliasing
dpssb3.F:30:0: note: loop vectorized
dpssb3.F:30:0: note: loop versioned for vectorization because of possible aliasing
dpssb4.F:31:0: note: loop vectorized
dpssb4.F:31:0: note: loop versioned for vectorization because of possible aliasing
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM   dpssb3.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM   dpssb4.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM   dpssb5.F
dpssb5.F:51:0: note: loop vectorized
dpssb5.F:51:0: note: loop versioned for vectorization because of possible aliasing
dpssf.F:122:0: note: loop vectorized
dpssf.F:80:0: note: loop vectorized
dpssf.F:80:0: note: loop versioned for vectorization because of possible aliasing
dpssf.F:73:0: note: loop vectorized
dpssf.F:73:0: note: loop versioned for vectorization because of possible aliasing
dpssf.F:73:0: note: loop peeled for vectorization to enhance alignment
dpssf.F:65:0: note: loop vectorized
dpssf.F:65:0: note: loop versioned for vectorization because of possible aliasing
dpssf.F:65:0: note: loop peeled for vectorization to enhance alignment
dpssf.F:53:0: note: loop vectorized
dpssf.F:53:0: note: loop versioned for vectorization because of possible aliasing
dpssf.F:53:0: note: loop peeled for vectorization to enhance alignment
dpssf.F:18:0: note: loop vectorized
dpssf.F:18:0: note: loop versioned for vectorization because of possible aliasing
dpssf.F:18:0: note: loop peeled for vectorization to enhance alignment
dpssf.F:98:0: note: basic block vectorized
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM   dpssf.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM   dpssf2.F
dpssf2.F:17:0: note: loop vectorized
dpssf2.F:17:0: note: loop versioned for vectorization because of possible aliasing
dpssf3.F:28:0: note: loop vectorized
dpssf3.F:28:0: note: loop versioned for vectorization because of possible aliasing
dpssf4.F:31:0: note: loop vectorized
dpssf4.F:31:0: note: loop versioned for vectorization because of possible aliasing
dpssf5.F:46:0: note: loop vectorized
dpssf5.F:46:0: note: loop versioned for vectorization because of possible aliasing
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM   dpssf3.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM   dpssf4.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM   dpssf5.F
drftb1.F:97:0: note: loop vectorized
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM   drfftb.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM   drfftf.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM   drffti.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM   drftb1.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM   drftf1.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM   drfti1.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM   dradb2.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM   dradb3.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM   dradb4.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM   dradb5.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM   dradbg.F
dradbg.F:210:0: note: loop vectorized
dradbg.F:195:0: note: loop vectorized
dradbg.F:195:0: note: loop versioned for vectorization because of possible aliasing
dradbg.F:182:0: note: loop vectorized
dradbg.F:182:0: note: loop versioned for vectorization because of possible aliasing
dradbg.F:148:0: note: loop vectorized
dradbg.F:148:0: note: loop versioned for vectorization because of possible aliasing
dradbg.F:148:0: note: loop peeled for vectorization to enhance alignment
dradbg.F:134:0: note: loop vectorized
dradbg.F:134:0: note: loop versioned for vectorization because of possible aliasing
dradbg.F:131:0: note: loop vectorized
dradbg.F:131:0: note: loop versioned for vectorization because of possible aliasing
dradbg.F:131:0: note: loop peeled for vectorization to enhance alignment
dradbg.F:119:0: note: loop vectorized
dradbg.F:119:0: note: loop versioned for vectorization because of possible aliasing
dradbg.F:119:0: note: loop peeled for vectorization to enhance alignment
dradbg.F:106:0: note: loop vectorized
dradbg.F:106:0: note: loop versioned for vectorization because of possible aliasing
dradbg.F:106:0: note: loop peeled for vectorization to enhance alignment
dradbg.F:51:0: note: loop vectorized
dradbg.F:51:0: note: loop versioned for vectorization because of possible aliasing
dradbg.F:32:0: note: loop vectorized
dradbg.F:32:0: note: loop versioned for vectorization because of possible aliasing
dradbg.F:33:0: note: basic block vectorized
dradbg.F:52:0: note: basic block vectorized
dradbg.F:135:0: note: basic block vectorized
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM   dradf2.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM   dradf3.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM   dradf4.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM   dradf5.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM   dradfg.F
dradfg.F:407:0: note: loop vectorized
dradfg.F:407:0: note: loop versioned for vectorization because of possible aliasing
dradfg.F:373:0: note: loop vectorized
dradfg.F:373:0: note: loop versioned for vectorization because of possible aliasing
dradfg.F:336:0: note: loop vectorized
dradfg.F:336:0: note: loop versioned for vectorization because of possible aliasing
dradfg.F:319:0: note: loop vectorized
dradfg.F:319:0: note: loop peeled for vectorization to enhance alignment
dradfg.F:305:0: note: loop vectorized
dradfg.F:305:0: note: loop versioned for vectorization because of possible aliasing
dradfg.F:292:0: note: loop vectorized
dradfg.F:292:0: note: loop peeled for vectorization to enhance alignment
dradfg.F:279:0: note: loop vectorized
dradfg.F:279:0: note: loop versioned for vectorization because of possible aliasing
dradfg.F:279:0: note: loop peeled for vectorization to enhance alignment
dradfg.F:266:0: note: loop vectorized
dradfg.F:266:0: note: loop versioned for vectorization because of possible aliasing
dradfg.F:266:0: note: loop peeled for vectorization to enhance alignment
dradfg.F:240:0: note: loop vectorized
dradfg.F:210:0: note: loop vectorized
dradfg.F:210:0: note: loop versioned for vectorization because of possible aliasing
dradfg.F:197:0: note: loop vectorized
dradfg.F:197:0: note: loop versioned for vectorization because of possible aliasing
dradfg.F:61:0: note: loop vectorized
dradfg.F:306:0: note: basic block vectorized
dradfg.F:338:0: note: basic block vectorized
dradfg.F:374:0: note: basic block vectorized
dradfg.F:408:0: note: basic block vectorized
make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/fft/pfft1.0/fftpack'
make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/fft/pfft1.0/fftpack'
Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpfft.lock
ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpfft.a dcfftb.o dcfftf.o dcffti.o dcftb1.o dcftf1.o dcfti1.o dpssb.o dpssb2.o dpssb3.o dpssb4.o dpssb5.o dpssf.o dpssf2.o dpssf3.o dpssf4.o dpssf5.o drfftb.o drfftf.o drffti.o drftb1.o drftf1.o drfti1.o dradb2.o dradb3.o dradb4.o dradb5.o dradbg.o dradf2.o dradf3.o dradf4.o dradf5.o dradfg.o
ar: creating /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpfft.a
echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpfft.a
/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpfft.a
make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/fft/pfft1.0/fftpack'
make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/fft/pfft1.0/fftpack'
Making all in pfft
make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/fft/pfft1.0/pfft'
make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/fft/pfft1.0/pfft'
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM  -DTCGMSG -DFFTPACK  blktrn.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM  -DTCGMSG -DFFTPACK  drain.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM  -DTCGMSG -DFFTPACK  fillup.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM  -DTCGMSG -DFFTPACK  mapfil.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM  -DTCGMSG -DFFTPACK  mapchk.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM  -DTCGMSG -DFFTPACK  prlst2.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM  -DTCGMSG -DFFTPACK  xstop.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM  -DTCGMSG -DFFTPACK  pairup.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM  -DTCGMSG -DFFTPACK  gexit.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM  -DTCGMSG -DFFTPACK  igdiff.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM  -DTCGMSG -DFFTPACK  lstcnt.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM  -DTCGMSG -DFFTPACK  lstind.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM  -DTCGMSG -DFFTPACK  pfft.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM  -DTCGMSG -DFFTPACK  pfft3d.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM  -DTCGMSG -DFFTPACK  prfft3.F
mcfftr.F:93:0: note: basic block vectorized
mcfftr.F:113:0: note: basic block vectorized
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM  -DTCGMSG -DFFTPACK  prfft.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM  -DTCGMSG -DFFTPACK  prffti.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM  -DTCGMSG -DFFTPACK  chk3d.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM  -DTCGMSG -DFFTPACK  mfftc1.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM  -DTCGMSG -DFFTPACK  mfftr1.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM  -DTCGMSG -DFFTPACK  mcfftr.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM  -DTCGMSG -DFFTPACK  mrfftr.F
mrfftr.F:101:0: note: loop vectorized
mrfftr.F:101:0: note: loop peeled for vectorization to enhance alignment
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM  -DTCGMSG -DFFTPACK  pfft1i.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM  -DTCGMSG -DFFTPACK  pfft1.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DFILE_IO -DIBM  -DTCGMSG -DFFTPACK  wrkspc2.F
make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/fft/pfft1.0/pfft'
make[4]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/fft/pfft1.0/pfft'
Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpfft.lock
ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpfft.a blktrn.o drain.o fillup.o mapfil.o mapchk.o prlst2.o xstop.o pairup.o gexit.o igdiff.o lstcnt.o lstind.o pfft.o pfft3d.o prfft3.o prfft.o prffti.o chk3d.o mfftc1.o mfftr1.o mcfftr.o mrfftr.o pfft1i.o pfft1.o wrkspc2.o
echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpfft.a
/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpfft.a
make[4]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/fft/pfft1.0/pfft'
make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/fft/pfft1.0/pfft'
make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/fft/pfft1.0'
make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/fft/pfft1.0'
make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/fft/pfft1.0'
Making all in pfftwrap
make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/fft/pfftwrap'
nwfft3d.F:240:0: note: loop vectorized
nwfft3d.F:240:0: note: loop peeled for vectorization to enhance alignment
nwfft3d.F:270:0: note: loop vectorized
nwfft3d.F:270:0: note: loop peeled for vectorization to enhance alignment
make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/fft/pfftwrap'
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DEMSLFFT  nwfft3d.F
make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/fft/pfftwrap'
make[3]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/fft/pfftwrap'
Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpfft.lock
ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpfft.a nwfft3d.o
echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpfft.a
/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/libpfft.a
make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/fft/pfftwrap'
make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/fft/pfftwrap'
make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/fft'
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Making libraries in 64to32blas
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ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   yscal.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   ycopy.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   ydot.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   ygemm.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   ygemv.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   iyamax.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   ygesv.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   ygesvd.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   yaxpy.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   yspsvx.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   yposv.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   ysyev.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   yger.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   yrot.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   ylaset.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   yswap.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   ygebak.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   ygebal.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   ynrm2.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   ylacpy.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   ylascl.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   ylange.F
ylarnv.F:15:0: note: basic block vectorized
ylagtf.F:19:0: note: loop vectorized
ylagtf.F:19:0: note: loop peeled for vectorization to enhance alignment
ylagts.F:19:0: note: loop vectorized
ylagts.F:19:0: note: loop peeled for vectorization to enhance alignment
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   ytrevc.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   yhseqr.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   yorghr.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   ygehrd.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   ysterf.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   ylarnv.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   ylagtf.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   ylagts.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   yasum.F
ftn -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec ypotri.f
ifily.F:9:0: note: loop vectorized
ifily.F:9:0: note: loop peeled for vectorization to enhance alignment
ftn -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec ypotrf.f
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   ysygv.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   ygeev.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   ygeevx.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   ifily.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   xscal.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   xaxpy.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   xgemm.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   xheev.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   xcopy.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   xdotc.F
ftn  -c -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2  -ffast-math -Wuninitialized -fno-aggressive-loop-optimizations -O3  -mfpmath=sse -ffast-math -fprefetch-loop-arrays  -ftree-vectorize   -fopt-info-vec -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG   ixamax.F
make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/64to32blas'
make[2]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/64to32blas'
Got lock on /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/lib64to32.lock
ar r /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/lib64to32.a yscal.o ycopy.o ydot.o ygemm.o ygemv.o iyamax.o ygesv.o ygesvd.o yaxpy.o yspsvx.o yposv.o ysyev.o yger.o yrot.o ylaset.o yswap.o ygebak.o ygebal.o ynrm2.o ylacpy.o ylascl.o ylange.o ytrevc.o yhseqr.o yorghr.o ygehrd.o ysterf.o ylarnv.o ylagtf.o ylagts.o yasum.o ypotri.o ypotrf.o ysygv.o ygeev.o ygeevx.o ifily.o xscal.o xaxpy.o xgemm.o xheev.o xcopy.o xdotc.o ixamax.o
ar: creating /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/lib64to32.a
echo /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/lib64to32.a
/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64/lib64to32.a
make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/64to32blas'
make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/64to32blas'
make nwchem.o stubs.o
make[1]: Entering directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src'
ftn -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O   -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DCOMPILATION_DATE="'`date +%a_%b_%d_%H:%M:%S_%Y`'" -DCOMPILATION_DIR="'/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6'" -DNWCHEM_BRANCH="'6.6'"  -c -o nwchem.o nwchem.F
ftn -m64 -ffast-math  -Warray-bounds -fdefault-integer-8 -march=native -mtune=native -finline-functions -O2 -g -fno-aggressive-loop-optimizations -g -O   -I.  -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/include -I/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/include -I/opt/cray/papi/5.4.1.3/include -DCRAYXT -DNOIO -DGFORTRAN -DCHKUNDFLW -DGCC4 -DGCC46 -DEXT_INT -DLINUX -DLINUX64 -DUSE_PAPI -DSCALAPACK -DNOIO -DEAFHACK -DPARALLEL_DIAG -DCOMPILATION_DATE="'`date +%a_%b_%d_%H:%M:%S_%Y`'" -DCOMPILATION_DIR="'/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6'" -DNWCHEM_BRANCH="'6.6'"  -c -o stubs.o stubs.F
make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src'
ftn   -L/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/lib/LINUX64 -L/mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/src/tools/install/lib  -o /mnt/a/u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/nwchem nwchem.o stubs.o -lnwctask -lccsd -lmp2 -lmoints -lstepper -ldriver -loptim -lnwdft -lgradients -lcphf -lddscf -lguess -lhessian -lvib -lnwcutil -lrimp2 -lproperty -lsolvation -lnwints -lnwpw -lofpw -lpaw -lpspw -lband -lnwpwlib -lpfft -lpspw -lnwcutil -lga -larmci -lpeigs -lperfm -lcons -lbq -lnwcutil -L/opt/cray/papi/5.4.1.3/lib -lpapi   -l64to32 -lsci_gnu  -lnwclapack  -lnwcblas      

ls -l ~/nwchem-spp/nwchem-6.6/bin/LINUX64/nwchem


echo "#!/bin/bash" > nwchem.pbs
echo "#PBS -j oe" >> nwchem.pbs
echo "#PBS -lnodes=100:ppn=32" >> nwchem.pbs
echo "#PBS -lwalltime=00:30:00" >> nwchem.pbs
echo "#PBS -N z05" >> nwchem.pbs
echo "cd $PBS_O_WORKDIR" >> nwchem.pbs
echo "cp ~arnoldg/spp/flops.nw ." >> nwchem.pbs
echo "aprun -n 800 -N 8 -d 4  ~/nwchem-spp/nwchem-6.6/bin/LINUX64/nwchem flops.nw > job.t.out" >> nwchem.pbs
echo "cp -f job.t.out ~/nwchem-spp/" >> nwchem.pbs
echo "tail -100 job.t.out > job.t.out.100" >> nwchem.pbs
echo "grep cpu: job.t.out > job.t.out.100.cpu" >> nwchem.pbs
echo "cp -f job.t.out.* ~/nwchem-spp/ " >> nwchem.pbs

cat -n nwchem.pbs
MYJOBID=`qsub nwchem.pbs`
qsub nwchem.pbs
/bin/rm -f nwchem.o stubs.o
-rwxr-xr-x 1 bwjenkins BW_System 108967326 Feb 27 14:47 /u/system/bwjenkins/nwchem-spp/nwchem-6.6/bin/LINUX64/nwchem
     1	#!/bin/bash
     2	#PBS -j oe
     3	#PBS -lnodes=100:ppn=32
     4	#PBS -lwalltime=00:30:00
     5	#PBS -N z05
     6	cd 
     7	cp ~arnoldg/spp/flops.nw .
     8	aprun -n 800 -N 8 -d 4  ~/nwchem-spp/nwchem-6.6/bin/LINUX64/nwchem flops.nw > job.t.out
     9	cp -f job.t.out ~/nwchem-spp/
    10	tail -100 job.t.out > job.t.out.100
    11	grep cpu: job.t.out > job.t.out.100.cpu
    12	cp -f job.t.out.* ~/nwchem-spp/ 
INFO: Job submitted to account: jnc
echo MYJOBID=$MYJOBID
~arnoldg/ior/wait_for.sh $MYJOBID
MYJOBID=8250816.bw
=== RUNNING /u/staff/arnoldg/ior/wait_for.sh ===
Tue Feb 27 14:47:10 CST 2018: waiting for 8250816.bw to finish
Tue Feb 27 14:52:10 CST 2018: waiting for 8250816.bw to finish
Tue Feb 27 14:57:11 CST 2018: waiting for 8250816.bw to finish
Tue Feb 27 15:02:11 CST 2018: waiting for 8250816.bw to finish
Tue Feb 27 15:07:11 CST 2018: waiting for 8250816.bw to finish
Tue Feb 27 15:12:11 CST 2018: waiting for 8250816.bw to finish
Tue Feb 27 15:17:11 CST 2018: waiting for 8250816.bw to finish
Tue Feb 27 15:22:11 CST 2018: waiting for 8250816.bw to finish
Tue Feb 27 15:27:11 CST 2018: waiting for 8250816.bw to finish
Tue Feb 27 15:32:11 CST 2018: waiting for 8250816.bw to finish
Tue Feb 27 15:37:11 CST 2018: waiting for 8250816.bw to finish
qstat: Unknown Job Id Error 8250816.bw
cd ~/nwchem-spp/
YVALUE=`cat job.t.out.100.cpu | grep Total | cut -d: -f3 | sed -e s/s//`
cat job.t.out.100.cpu | grep Total | cut -d: -f3 | sed -e s/s//
echo YVALUE="$YVALUE" > totaltime.txt
8250816.bw finished
[SSH] exit-status: 0
[nwchem-spp] $ /bin/sh -xe /tmp/jenkins73824044708471901.sh
+ rm -rf /var/lib/jenkins/workspace/nwchem-spp/job.t.out.100 /var/lib/jenkins/workspace/nwchem-spp/job.t.out.100.cpu /var/lib/jenkins/workspace/nwchem-spp/totaltime.txt
+ scp 'BW_REMOTE:~/nwchem-spp/job.t.out.*' /var/lib/jenkins/workspace/nwchem-spp

Access by OTP or Two Factor Certificate Authority only.
Use myproxy-logon -s tfca.ncsa.illinois.edu -p 7512 for gsissh access.
gsissh or ssh -o PreferredAuthentications=keyboard-interactive for otp access.


Blue Waters Admin Team


+ scp 'BW_REMOTE:~/nwchem-spp/totaltime.txt' /var/lib/jenkins/workspace/nwchem-spp

Access by OTP or Two Factor Certificate Authority only.
Use myproxy-logon -s tfca.ncsa.illinois.edu -p 7512 for gsissh access.
gsissh or ssh -o PreferredAuthentications=keyboard-interactive for otp access.


Blue Waters Admin Team


Recording plot data
Saving plot series data from: /var/lib/jenkins/workspace/nwchem-spp/totaltime.txt
Finished: SUCCESS