Skipping 745 KB..
Full Log - use the `-Wl,-rpath -Wl,LIBDIR' linker flag
- have your system administrator add LIBDIR to `/etc/ld.so.conf'
See any operating system documentation about shared libraries for
more information, such as the ld(1) and ld.so(8) manual pages.
----------------------------------------------------------------------
/bin/mkdir -p '/u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/libxc-2.2.2/lib64/bin'
/bin/sh ../libtool --mode=install /usr/bin/install -c xc-info '/u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/libxc-2.2.2/lib64/bin'
libtool: install: /usr/bin/install -c xc-info /u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/libxc-2.2.2/lib64/bin/xc-info
/bin/mkdir -p '/u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/libxc-2.2.2/lib64/include'
/usr/bin/install -c -m 644 /u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/libxc-2.2.2/src/xc.h /u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/libxc-2.2.2/src/xc_config.h /u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/libxc-2.2.2/src/xc_unconfig.h '/u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/libxc-2.2.2/lib64/include'
/bin/mkdir -p '/u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/libxc-2.2.2/lib64/include'
/usr/bin/install -c -m 644 xc_funcs.h libxc_funcs_m.mod xc_f90_lib_m.mod xc_f90_types_m.mod '/u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/libxc-2.2.2/lib64/include'
make[3]: Leaving directory `/mnt/a/u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/libxc-2.2.2/lib64/src'
make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/libxc-2.2.2/lib64/src'
make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/libxc-2.2.2/lib64/src'
Making install in testsuite
make[1]: Entering directory `/mnt/a/u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/libxc-2.2.2/lib64/testsuite'
/opt/cray/craype/2.5.4/bin/cc -DHAVE_CONFIG_H -I. -I/u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/libxc-2.2.2/testsuite -I.. -I/u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/libxc-2.2.2/testsuite/../src/ -I../src -g -O2 -MT xc_get_data-xc-get_data.o -MD -MP -MF .deps/xc_get_data-xc-get_data.Tpo -c -o xc_get_data-xc-get_data.o `test -f 'xc-get_data.c' || echo '/u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/libxc-2.2.2/testsuite/'`xc-get_data.c
mv -f .deps/xc_get_data-xc-get_data.Tpo .deps/xc_get_data-xc-get_data.Po
/bin/sh ../libtool --tag=CC --mode=link /opt/cray/craype/2.5.4/bin/cc -g -O2 -o xc-get_data xc_get_data-xc-get_data.o -L../src/ -lxc -lm
libtool: link: /opt/cray/craype/2.5.4/bin/cc -g -O2 -o xc-get_data xc_get_data-xc-get_data.o -L../src/ /mnt/a/u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/libxc-2.2.2/lib64/src/.libs/libxc.a -lm
/opt/cray/craype/2.5.4/bin/cc -DHAVE_CONFIG_H -I. -I/u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/libxc-2.2.2/testsuite -I.. -I/u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/libxc-2.2.2/testsuite/../src/ -I../src -g -O2 -MT xc_consistency-xc-consistency.o -MD -MP -MF .deps/xc_consistency-xc-consistency.Tpo -c -o xc_consistency-xc-consistency.o `test -f 'xc-consistency.c' || echo '/u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/libxc-2.2.2/testsuite/'`xc-consistency.c
mv -f .deps/xc_consistency-xc-consistency.Tpo .deps/xc_consistency-xc-consistency.Po
/bin/sh ../libtool --tag=CC --mode=link /opt/cray/craype/2.5.4/bin/cc -g -O2 -o xc-consistency xc_consistency-xc-consistency.o -L../src/ -lxc -lm
libtool: link: /opt/cray/craype/2.5.4/bin/cc -g -O2 -o xc-consistency xc_consistency-xc-consistency.o -L../src/ /mnt/a/u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/libxc-2.2.2/lib64/src/.libs/libxc.a -lm
/opt/cray/craype/2.5.4/bin/cc -DHAVE_CONFIG_H -I. -I/u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/libxc-2.2.2/testsuite -I.. -I/u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/libxc-2.2.2/testsuite/../src/ -I../src -g -O2 -MT xc_regression-xc-regression.o -MD -MP -MF .deps/xc_regression-xc-regression.Tpo -c -o xc_regression-xc-regression.o `test -f 'xc-regression.c' || echo '/u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/libxc-2.2.2/testsuite/'`xc-regression.c
mv -f .deps/xc_regression-xc-regression.Tpo .deps/xc_regression-xc-regression.Po
/bin/sh ../libtool --tag=CC --mode=link /opt/cray/craype/2.5.4/bin/cc -g -O2 -o xc-regression xc_regression-xc-regression.o -L../src/ -lxc -lm
libtool: link: /opt/cray/craype/2.5.4/bin/cc -g -O2 -o xc-regression xc_regression-xc-regression.o -L../src/ /mnt/a/u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/libxc-2.2.2/lib64/src/.libs/libxc.a -lm
/opt/cray/craype/2.5.4/bin/cc -DHAVE_CONFIG_H -I. -I/u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/libxc-2.2.2/testsuite -I.. -I/u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/libxc-2.2.2/testsuite/../src/ -I../src -g -O2 -MT xc_error-xc-error.o -MD -MP -MF .deps/xc_error-xc-error.Tpo -c -o xc_error-xc-error.o `test -f 'xc-error.c' || echo '/u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/libxc-2.2.2/testsuite/'`xc-error.c
mv -f .deps/xc_error-xc-error.Tpo .deps/xc_error-xc-error.Po
/bin/sh ../libtool --tag=CC --mode=link /opt/cray/craype/2.5.4/bin/cc -g -O2 -o xc-error xc_error-xc-error.o -lm
libtool: link: /opt/cray/craype/2.5.4/bin/cc -g -O2 -o xc-error xc_error-xc-error.o -lm
make[2]: Entering directory `/mnt/a/u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/libxc-2.2.2/lib64/testsuite'
make[2]: Nothing to be done for `install-exec-am'.
make[2]: Nothing to be done for `install-data-am'.
make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/libxc-2.2.2/lib64/testsuite'
make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/libxc-2.2.2/lib64/testsuite'
make[1]: Entering directory `/mnt/a/u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/libxc-2.2.2/lib64'
make[2]: Entering directory `/mnt/a/u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/libxc-2.2.2/lib64'
make[2]: Nothing to be done for `install-exec-am'.
/bin/mkdir -p '/u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/libxc-2.2.2/lib64/include'
/usr/bin/install -c -m 644 xc_version.h '/u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/libxc-2.2.2/lib64/include'
make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/libxc-2.2.2/lib64'
make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/libxc-2.2.2/lib64'
-- Found LIBXC: /u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/libxc-2.2.2/lib64/lib/libxc.a
-- Could NOT find LIBSPG (missing: LIBSPG_LIBRARIES)
spglib-1.6.3/
spglib-1.6.3/aclocal.m4
spglib-1.6.3/AUTHORS
spglib-1.6.3/ChangeLog
spglib-1.6.3/compile
spglib-1.6.3/config.guess
spglib-1.6.3/config.h.in
spglib-1.6.3/config.sub
spglib-1.6.3/configure
spglib-1.6.3/configure.ac
spglib-1.6.3/COPYING
spglib-1.6.3/depcomp
spglib-1.6.3/example/
spglib-1.6.3/INSTALL
spglib-1.6.3/install-sh
spglib-1.6.3/ltmain.sh
spglib-1.6.3/m4/
spglib-1.6.3/Makefile.am
spglib-1.6.3/Makefile.in
spglib-1.6.3/missing
spglib-1.6.3/NEWS
spglib-1.6.3/python/
spglib-1.6.3/README
spglib-1.6.3/src/
spglib-1.6.3/test/
spglib-1.6.3/test/check_consistency.py
spglib-1.6.3/test/data/
spglib-1.6.3/test/extconf.rb
spglib-1.6.3/test/getspg.c
spglib-1.6.3/test/poscar.rb
spglib-1.6.3/test/poscar2findsym.rb
spglib-1.6.3/test/README
spglib-1.6.3/test/symPoscar.rb
spglib-1.6.3/test/data/cubic/
spglib-1.6.3/test/data/hexagonal/
spglib-1.6.3/test/data/monoclinic/
spglib-1.6.3/test/data/orthorhombic/
spglib-1.6.3/test/data/others/
spglib-1.6.3/test/data/test-all.zsh
spglib-1.6.3/test/data/test-cubic.zsh
spglib-1.6.3/test/data/test-hexa.zsh
spglib-1.6.3/test/data/test-monocli.zsh
spglib-1.6.3/test/data/test-ortho.zsh
spglib-1.6.3/test/data/test-refined_symmetry.zsh
spglib-1.6.3/test/data/test-tetra.zsh
spglib-1.6.3/test/data/test-tricli.zsh
spglib-1.6.3/test/data/test-trigo.zsh
spglib-1.6.3/test/data/tetragonal/
spglib-1.6.3/test/data/triclinic/
spglib-1.6.3/test/data/trigonal/
spglib-1.6.3/test/data/virtual_structure/
spglib-1.6.3/test/data/virtual_structure/poscar-221/
spglib-1.6.3/test/data/virtual_structure/poscar-222/
spglib-1.6.3/test/data/virtual_structure/poscar-223/
spglib-1.6.3/test/data/virtual_structure/poscar-224/
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_primitive/
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/
spglib-1.6.3/test/data/virtual_structure/poscars-1/
spglib-1.6.3/test/data/virtual_structure/poscars-2/
spglib-1.6.3/test/data/virtual_structure/rhombohedral/
spglib-1.6.3/test/data/virtual_structure/test-virtual.zsh
spglib-1.6.3/test/data/virtual_structure/rhombohedral/POSCAR-1
spglib-1.6.3/test/data/virtual_structure/poscars-2/POSCAR-22
spglib-1.6.3/test/data/virtual_structure/poscars-2/POSCAR-26
spglib-1.6.3/test/data/virtual_structure/poscars-2/POSCAR-9
spglib-1.6.3/test/data/virtual_structure/poscars-1/POSCAR-15
spglib-1.6.3/test/data/virtual_structure/poscars-1/POSCAR-16
spglib-1.6.3/test/data/virtual_structure/poscars-1/POSCAR-17
spglib-1.6.3/test/data/virtual_structure/poscars-1/POSCAR-18
spglib-1.6.3/test/data/virtual_structure/poscars-1/POSCAR-19
spglib-1.6.3/test/data/virtual_structure/poscars-1/POSCAR-27
spglib-1.6.3/test/data/virtual_structure/poscars-1/POSCAR-28
spglib-1.6.3/test/data/virtual_structure/poscars-1/POSCAR-29
spglib-1.6.3/test/data/virtual_structure/poscars-1/POSCAR-30
spglib-1.6.3/test/data/virtual_structure/poscars-1/POSCAR-31
spglib-1.6.3/test/data/virtual_structure/poscars-1/POSCAR-32
spglib-1.6.3/test/data/virtual_structure/poscars-1/POSCAR-33
spglib-1.6.3/test/data/virtual_structure/poscars-1/POSCAR-6
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-01
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-02
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-03
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-04
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-05
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-06
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-07
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-08
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-09
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-10
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-11
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-12
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-13
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-14
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-15
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-16
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-17
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-18
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-19
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-20
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-21
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-22
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-23
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-24
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-25
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-26
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-27
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-28
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-29
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-30
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-31
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-32
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-33
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-34
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-35
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-36
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-37
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-38
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-39
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-40
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-41
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-42
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-43
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-44
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-45
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-46
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-47
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-48
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-49
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-50
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-51
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-52
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-53
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-54
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-55
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-56
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-57
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-58
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-59
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-60
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-61
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-62
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-01
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-02
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-03
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-04
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-05
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-06
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-07
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-08
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-09
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-10
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-11
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-12
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-13
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-14
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-15
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-16
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-17
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-18
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-19
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-20
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-21
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-22
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-23
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-24
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-25
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-26
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-27
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-28
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-29
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-30
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-31
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-32
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-33
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-01
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-03
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-06
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-09
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-13
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-16
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-18
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-19
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-21
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-24
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-28
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-29
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-31
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-32
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-33
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-35
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-36
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-38
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-40
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-41
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-43
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-44
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-45
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-47
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-48
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-49
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-50
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-51
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-53
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-54
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-58
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-59
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-60
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-61
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-62
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-63
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-64
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-65
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-66
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-67
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-68
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-69
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-70
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-71
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-72
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-73
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-74
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-75
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-77
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-78
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-79
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-80
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-81
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-82
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-83
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-84
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-85
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-86
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-87
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-88
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-89
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-90
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-91
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-92
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-93
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-94
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-95
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-96
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-97
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-98
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-99
spglib-1.6.3/test/data/virtual_structure/poscar-224/POSCAR-01
spglib-1.6.3/test/data/virtual_structure/poscar-224/POSCAR-02
spglib-1.6.3/test/data/virtual_structure/poscar-224/POSCAR-03
spglib-1.6.3/test/data/virtual_structure/poscar-224/POSCAR-04
spglib-1.6.3/test/data/virtual_structure/poscar-224/POSCAR-05
spglib-1.6.3/test/data/virtual_structure/poscar-224/POSCAR-06
spglib-1.6.3/test/data/virtual_structure/poscar-224/POSCAR-07
spglib-1.6.3/test/data/virtual_structure/poscar-224/POSCAR-08
spglib-1.6.3/test/data/virtual_structure/poscar-224/POSCAR-09
spglib-1.6.3/test/data/virtual_structure/poscar-224/POSCAR-10
spglib-1.6.3/test/data/virtual_structure/poscar-224/POSCAR-11
spglib-1.6.3/test/data/virtual_structure/poscar-224/POSCAR-12
spglib-1.6.3/test/data/virtual_structure/poscar-224/POSCAR-13
spglib-1.6.3/test/data/virtual_structure/poscar-224/POSCAR-14
spglib-1.6.3/test/data/virtual_structure/poscar-224/POSCAR-15
spglib-1.6.3/test/data/virtual_structure/poscar-224/POSCAR-16
spglib-1.6.3/test/data/virtual_structure/poscar-224/POSCAR-17
spglib-1.6.3/test/data/virtual_structure/poscar-224/POSCAR-18
spglib-1.6.3/test/data/virtual_structure/poscar-224/POSCAR-19
spglib-1.6.3/test/data/virtual_structure/poscar-224/POSCAR-20
spglib-1.6.3/test/data/virtual_structure/poscar-224/POSCAR-21
spglib-1.6.3/test/data/virtual_structure/poscar-224/POSCAR-22
spglib-1.6.3/test/data/virtual_structure/poscar-224/POSCAR-23
spglib-1.6.3/test/data/virtual_structure/poscar-224/POSCAR-24
spglib-1.6.3/test/data/virtual_structure/poscar-224/POSCAR-25
spglib-1.6.3/test/data/virtual_structure/poscar-224/POSCAR-26
spglib-1.6.3/test/data/virtual_structure/poscar-224/POSCAR-27
spglib-1.6.3/test/data/virtual_structure/poscar-224/POSCAR-28
spglib-1.6.3/test/data/virtual_structure/poscar-224/POSCAR-29
spglib-1.6.3/test/data/virtual_structure/poscar-224/POSCAR-30
spglib-1.6.3/test/data/virtual_structure/poscar-224/POSCAR-31
spglib-1.6.3/test/data/virtual_structure/poscar-224/POSCAR-32
spglib-1.6.3/test/data/virtual_structure/poscar-224/POSCAR-33
spglib-1.6.3/test/data/virtual_structure/poscar-223/POSCAR-01
spglib-1.6.3/test/data/virtual_structure/poscar-223/POSCAR-02
spglib-1.6.3/test/data/virtual_structure/poscar-223/POSCAR-03
spglib-1.6.3/test/data/virtual_structure/poscar-223/POSCAR-04
spglib-1.6.3/test/data/virtual_structure/poscar-223/POSCAR-05
spglib-1.6.3/test/data/virtual_structure/poscar-223/POSCAR-06
spglib-1.6.3/test/data/virtual_structure/poscar-223/POSCAR-07
spglib-1.6.3/test/data/virtual_structure/poscar-223/POSCAR-08
spglib-1.6.3/test/data/virtual_structure/poscar-223/POSCAR-09
spglib-1.6.3/test/data/virtual_structure/poscar-223/POSCAR-10
spglib-1.6.3/test/data/virtual_structure/poscar-223/POSCAR-11
spglib-1.6.3/test/data/virtual_structure/poscar-223/POSCAR-12
spglib-1.6.3/test/data/virtual_structure/poscar-223/POSCAR-13
spglib-1.6.3/test/data/virtual_structure/poscar-223/POSCAR-14
spglib-1.6.3/test/data/virtual_structure/poscar-223/POSCAR-15
spglib-1.6.3/test/data/virtual_structure/poscar-223/POSCAR-16
spglib-1.6.3/test/data/virtual_structure/poscar-223/POSCAR-17
spglib-1.6.3/test/data/virtual_structure/poscar-223/POSCAR-18
spglib-1.6.3/test/data/virtual_structure/poscar-223/POSCAR-19
spglib-1.6.3/test/data/virtual_structure/poscar-223/POSCAR-20
spglib-1.6.3/test/data/virtual_structure/poscar-223/POSCAR-21
spglib-1.6.3/test/data/virtual_structure/poscar-223/POSCAR-22
spglib-1.6.3/test/data/virtual_structure/poscar-223/POSCAR-23
spglib-1.6.3/test/data/virtual_structure/poscar-223/POSCAR-24
spglib-1.6.3/test/data/virtual_structure/poscar-223/POSCAR-25
spglib-1.6.3/test/data/virtual_structure/poscar-223/POSCAR-26
spglib-1.6.3/test/data/virtual_structure/poscar-223/POSCAR-27
spglib-1.6.3/test/data/virtual_structure/poscar-223/POSCAR-28
spglib-1.6.3/test/data/virtual_structure/poscar-223/POSCAR-29
spglib-1.6.3/test/data/virtual_structure/poscar-223/POSCAR-30
spglib-1.6.3/test/data/virtual_structure/poscar-223/POSCAR-31
spglib-1.6.3/test/data/virtual_structure/poscar-223/POSCAR-32
spglib-1.6.3/test/data/virtual_structure/poscar-223/POSCAR-33
spglib-1.6.3/test/data/virtual_structure/poscar-222/POSCAR-01
spglib-1.6.3/test/data/virtual_structure/poscar-222/POSCAR-02
spglib-1.6.3/test/data/virtual_structure/poscar-222/POSCAR-03
spglib-1.6.3/test/data/virtual_structure/poscar-222/POSCAR-04
spglib-1.6.3/test/data/virtual_structure/poscar-222/POSCAR-05
spglib-1.6.3/test/data/virtual_structure/poscar-222/POSCAR-06
spglib-1.6.3/test/data/virtual_structure/poscar-222/POSCAR-07
spglib-1.6.3/test/data/virtual_structure/poscar-222/POSCAR-08
spglib-1.6.3/test/data/virtual_structure/poscar-222/POSCAR-09
spglib-1.6.3/test/data/virtual_structure/poscar-222/POSCAR-10
spglib-1.6.3/test/data/virtual_structure/poscar-222/POSCAR-11
spglib-1.6.3/test/data/virtual_structure/poscar-222/POSCAR-12
spglib-1.6.3/test/data/virtual_structure/poscar-222/POSCAR-13
spglib-1.6.3/test/data/virtual_structure/poscar-222/POSCAR-14
spglib-1.6.3/test/data/virtual_structure/poscar-222/POSCAR-15
spglib-1.6.3/test/data/virtual_structure/poscar-222/POSCAR-16
spglib-1.6.3/test/data/virtual_structure/poscar-222/POSCAR-17
spglib-1.6.3/test/data/virtual_structure/poscar-222/POSCAR-18
spglib-1.6.3/test/data/virtual_structure/poscar-222/POSCAR-19
spglib-1.6.3/test/data/virtual_structure/poscar-222/POSCAR-20
spglib-1.6.3/test/data/virtual_structure/poscar-222/POSCAR-21
spglib-1.6.3/test/data/virtual_structure/poscar-222/POSCAR-22
spglib-1.6.3/test/data/virtual_structure/poscar-222/POSCAR-23
spglib-1.6.3/test/data/virtual_structure/poscar-222/POSCAR-24
spglib-1.6.3/test/data/virtual_structure/poscar-222/POSCAR-25
spglib-1.6.3/test/data/virtual_structure/poscar-222/POSCAR-26
spglib-1.6.3/test/data/virtual_structure/poscar-222/POSCAR-27
spglib-1.6.3/test/data/virtual_structure/poscar-222/POSCAR-28
spglib-1.6.3/test/data/virtual_structure/poscar-222/POSCAR-29
spglib-1.6.3/test/data/virtual_structure/poscar-222/POSCAR-30
spglib-1.6.3/test/data/virtual_structure/poscar-222/POSCAR-31
spglib-1.6.3/test/data/virtual_structure/poscar-222/POSCAR-32
spglib-1.6.3/test/data/virtual_structure/poscar-222/POSCAR-33
spglib-1.6.3/test/data/virtual_structure/poscar-221/POSCAR-01
spglib-1.6.3/test/data/virtual_structure/poscar-221/POSCAR-02
spglib-1.6.3/test/data/virtual_structure/poscar-221/POSCAR-03
spglib-1.6.3/test/data/virtual_structure/poscar-221/POSCAR-04
spglib-1.6.3/test/data/virtual_structure/poscar-221/POSCAR-05
spglib-1.6.3/test/data/virtual_structure/poscar-221/POSCAR-06
spglib-1.6.3/test/data/virtual_structure/poscar-221/POSCAR-07
spglib-1.6.3/test/data/virtual_structure/poscar-221/POSCAR-08
spglib-1.6.3/test/data/virtual_structure/poscar-221/POSCAR-09
spglib-1.6.3/test/data/virtual_structure/poscar-221/POSCAR-10
spglib-1.6.3/test/data/virtual_structure/poscar-221/POSCAR-11
spglib-1.6.3/test/data/virtual_structure/poscar-221/POSCAR-12
spglib-1.6.3/test/data/virtual_structure/poscar-221/POSCAR-13
spglib-1.6.3/test/data/virtual_structure/poscar-221/POSCAR-14
spglib-1.6.3/test/data/virtual_structure/poscar-221/POSCAR-15
spglib-1.6.3/test/data/virtual_structure/poscar-221/POSCAR-16
spglib-1.6.3/test/data/virtual_structure/poscar-221/POSCAR-17
spglib-1.6.3/test/data/virtual_structure/poscar-221/POSCAR-18
spglib-1.6.3/test/data/virtual_structure/poscar-221/POSCAR-19
spglib-1.6.3/test/data/virtual_structure/poscar-221/POSCAR-20
spglib-1.6.3/test/data/virtual_structure/poscar-221/POSCAR-21
spglib-1.6.3/test/data/virtual_structure/poscar-221/POSCAR-22
spglib-1.6.3/test/data/virtual_structure/poscar-221/POSCAR-23
spglib-1.6.3/test/data/virtual_structure/poscar-221/POSCAR-24
spglib-1.6.3/test/data/virtual_structure/poscar-221/POSCAR-25
spglib-1.6.3/test/data/virtual_structure/poscar-221/POSCAR-26
spglib-1.6.3/test/data/virtual_structure/poscar-221/POSCAR-27
spglib-1.6.3/test/data/virtual_structure/poscar-221/POSCAR-28
spglib-1.6.3/test/data/virtual_structure/poscar-221/POSCAR-29
spglib-1.6.3/test/data/virtual_structure/poscar-221/POSCAR-30
spglib-1.6.3/test/data/virtual_structure/poscar-221/POSCAR-31
spglib-1.6.3/test/data/virtual_structure/poscar-221/POSCAR-32
spglib-1.6.3/test/data/virtual_structure/poscar-221/POSCAR-33
spglib-1.6.3/test/data/trigonal/POSCAR-143
spglib-1.6.3/test/data/trigonal/POSCAR-143-2
spglib-1.6.3/test/data/trigonal/POSCAR-144
spglib-1.6.3/test/data/trigonal/POSCAR-144-2
spglib-1.6.3/test/data/trigonal/POSCAR-145
spglib-1.6.3/test/data/trigonal/POSCAR-145-2
spglib-1.6.3/test/data/trigonal/POSCAR-146
spglib-1.6.3/test/data/trigonal/POSCAR-146-2
spglib-1.6.3/test/data/trigonal/POSCAR-147
spglib-1.6.3/test/data/trigonal/POSCAR-147-2
spglib-1.6.3/test/data/trigonal/POSCAR-148
spglib-1.6.3/test/data/trigonal/POSCAR-148-2
spglib-1.6.3/test/data/trigonal/POSCAR-149
spglib-1.6.3/test/data/trigonal/POSCAR-149-2
spglib-1.6.3/test/data/trigonal/POSCAR-150
spglib-1.6.3/test/data/trigonal/POSCAR-150-2
spglib-1.6.3/test/data/trigonal/POSCAR-151
spglib-1.6.3/test/data/trigonal/POSCAR-151-2
spglib-1.6.3/test/data/trigonal/POSCAR-152
spglib-1.6.3/test/data/trigonal/POSCAR-152-2
spglib-1.6.3/test/data/trigonal/POSCAR-153
spglib-1.6.3/test/data/trigonal/POSCAR-154
spglib-1.6.3/test/data/trigonal/POSCAR-154-2
spglib-1.6.3/test/data/trigonal/POSCAR-154-3
spglib-1.6.3/test/data/trigonal/POSCAR-155
spglib-1.6.3/test/data/trigonal/POSCAR-155-2
spglib-1.6.3/test/data/trigonal/POSCAR-156
spglib-1.6.3/test/data/trigonal/POSCAR-156-2
spglib-1.6.3/test/data/trigonal/POSCAR-157
spglib-1.6.3/test/data/trigonal/POSCAR-157-2
spglib-1.6.3/test/data/trigonal/POSCAR-158
spglib-1.6.3/test/data/trigonal/POSCAR-158-2
spglib-1.6.3/test/data/trigonal/POSCAR-159
spglib-1.6.3/test/data/trigonal/POSCAR-159-2
spglib-1.6.3/test/data/trigonal/POSCAR-160
spglib-1.6.3/test/data/trigonal/POSCAR-160-2
spglib-1.6.3/test/data/trigonal/POSCAR-161
spglib-1.6.3/test/data/trigonal/POSCAR-161-2
spglib-1.6.3/test/data/trigonal/POSCAR-162
spglib-1.6.3/test/data/trigonal/POSCAR-162-2
spglib-1.6.3/test/data/trigonal/POSCAR-163
spglib-1.6.3/test/data/trigonal/POSCAR-163-2
spglib-1.6.3/test/data/trigonal/POSCAR-164
spglib-1.6.3/test/data/trigonal/POSCAR-164-2
spglib-1.6.3/test/data/trigonal/POSCAR-165
spglib-1.6.3/test/data/trigonal/POSCAR-165-2
spglib-1.6.3/test/data/trigonal/POSCAR-166
spglib-1.6.3/test/data/trigonal/POSCAR-166-2
spglib-1.6.3/test/data/trigonal/POSCAR-167
spglib-1.6.3/test/data/trigonal/POSCAR-167-2
spglib-1.6.3/test/data/trigonal/POSCAR-167-3
spglib-1.6.3/test/data/triclinic/POSCAR-001
spglib-1.6.3/test/data/triclinic/POSCAR-002
spglib-1.6.3/test/data/tetragonal/POSCAR-075
spglib-1.6.3/test/data/tetragonal/POSCAR-075-2
spglib-1.6.3/test/data/tetragonal/POSCAR-076
spglib-1.6.3/test/data/tetragonal/POSCAR-076-2
spglib-1.6.3/test/data/tetragonal/POSCAR-077
spglib-1.6.3/test/data/tetragonal/POSCAR-077-2
spglib-1.6.3/test/data/tetragonal/POSCAR-077-3
spglib-1.6.3/test/data/tetragonal/POSCAR-078
spglib-1.6.3/test/data/tetragonal/POSCAR-078-2
spglib-1.6.3/test/data/tetragonal/POSCAR-079
spglib-1.6.3/test/data/tetragonal/POSCAR-079-2
spglib-1.6.3/test/data/tetragonal/POSCAR-080
spglib-1.6.3/test/data/tetragonal/POSCAR-080-2
spglib-1.6.3/test/data/tetragonal/POSCAR-081
spglib-1.6.3/test/data/tetragonal/POSCAR-081-2
spglib-1.6.3/test/data/tetragonal/POSCAR-082
spglib-1.6.3/test/data/tetragonal/POSCAR-082-2
spglib-1.6.3/test/data/tetragonal/POSCAR-083
spglib-1.6.3/test/data/tetragonal/POSCAR-083-2
spglib-1.6.3/test/data/tetragonal/POSCAR-083-3
spglib-1.6.3/test/data/tetragonal/POSCAR-084
spglib-1.6.3/test/data/tetragonal/POSCAR-084-2
spglib-1.6.3/test/data/tetragonal/POSCAR-085
spglib-1.6.3/test/data/tetragonal/POSCAR-085-2
spglib-1.6.3/test/data/tetragonal/POSCAR-086
spglib-1.6.3/test/data/tetragonal/POSCAR-086-2
spglib-1.6.3/test/data/tetragonal/POSCAR-087
spglib-1.6.3/test/data/tetragonal/POSCAR-087-2
spglib-1.6.3/test/data/tetragonal/POSCAR-088
spglib-1.6.3/test/data/tetragonal/POSCAR-088-2
spglib-1.6.3/test/data/tetragonal/POSCAR-090
spglib-1.6.3/test/data/tetragonal/POSCAR-090-2
spglib-1.6.3/test/data/tetragonal/POSCAR-091
spglib-1.6.3/test/data/tetragonal/POSCAR-091-2
spglib-1.6.3/test/data/tetragonal/POSCAR-092
spglib-1.6.3/test/data/tetragonal/POSCAR-092-2
spglib-1.6.3/test/data/tetragonal/POSCAR-092-3
spglib-1.6.3/test/data/tetragonal/POSCAR-094
spglib-1.6.3/test/data/tetragonal/POSCAR-094-2
spglib-1.6.3/test/data/tetragonal/POSCAR-094-3
spglib-1.6.3/test/data/tetragonal/POSCAR-095
spglib-1.6.3/test/data/tetragonal/POSCAR-095-2
spglib-1.6.3/test/data/tetragonal/POSCAR-096
spglib-1.6.3/test/data/tetragonal/POSCAR-096-2
spglib-1.6.3/test/data/tetragonal/POSCAR-097
spglib-1.6.3/test/data/tetragonal/POSCAR-097-2
spglib-1.6.3/test/data/tetragonal/POSCAR-098
spglib-1.6.3/test/data/tetragonal/POSCAR-098-2
spglib-1.6.3/test/data/tetragonal/POSCAR-099
spglib-1.6.3/test/data/tetragonal/POSCAR-099-2
spglib-1.6.3/test/data/tetragonal/POSCAR-100
spglib-1.6.3/test/data/tetragonal/POSCAR-100-2
spglib-1.6.3/test/data/tetragonal/POSCAR-102
spglib-1.6.3/test/data/tetragonal/POSCAR-102-2
spglib-1.6.3/test/data/tetragonal/POSCAR-103
spglib-1.6.3/test/data/tetragonal/POSCAR-103-2
spglib-1.6.3/test/data/tetragonal/POSCAR-104
spglib-1.6.3/test/data/tetragonal/POSCAR-104-2
spglib-1.6.3/test/data/tetragonal/POSCAR-105
spglib-1.6.3/test/data/tetragonal/POSCAR-105-2
spglib-1.6.3/test/data/tetragonal/POSCAR-106
spglib-1.6.3/test/data/tetragonal/POSCAR-107
spglib-1.6.3/test/data/tetragonal/POSCAR-107-2
spglib-1.6.3/test/data/tetragonal/POSCAR-107-3
spglib-1.6.3/test/data/tetragonal/POSCAR-108
spglib-1.6.3/test/data/tetragonal/POSCAR-108-2
spglib-1.6.3/test/data/tetragonal/POSCAR-109
spglib-1.6.3/test/data/tetragonal/POSCAR-109-2
spglib-1.6.3/test/data/tetragonal/POSCAR-110
spglib-1.6.3/test/data/tetragonal/POSCAR-110-2
spglib-1.6.3/test/data/tetragonal/POSCAR-111
spglib-1.6.3/test/data/tetragonal/POSCAR-111-2
spglib-1.6.3/test/data/tetragonal/POSCAR-112
spglib-1.6.3/test/data/tetragonal/POSCAR-112-2
spglib-1.6.3/test/data/tetragonal/POSCAR-113
spglib-1.6.3/test/data/tetragonal/POSCAR-113-2
spglib-1.6.3/test/data/tetragonal/POSCAR-114
spglib-1.6.3/test/data/tetragonal/POSCAR-114-2
spglib-1.6.3/test/data/tetragonal/POSCAR-115
spglib-1.6.3/test/data/tetragonal/POSCAR-115-2
spglib-1.6.3/test/data/tetragonal/POSCAR-115-3
spglib-1.6.3/test/data/tetragonal/POSCAR-115-4
spglib-1.6.3/test/data/tetragonal/POSCAR-115-5
spglib-1.6.3/test/data/tetragonal/POSCAR-116
spglib-1.6.3/test/data/tetragonal/POSCAR-116-2
spglib-1.6.3/test/data/tetragonal/POSCAR-117
spglib-1.6.3/test/data/tetragonal/POSCAR-117-2
spglib-1.6.3/test/data/tetragonal/POSCAR-118
spglib-1.6.3/test/data/tetragonal/POSCAR-118-2
spglib-1.6.3/test/data/tetragonal/POSCAR-119
spglib-1.6.3/test/data/tetragonal/POSCAR-119-2
spglib-1.6.3/test/data/tetragonal/POSCAR-120
spglib-1.6.3/test/data/tetragonal/POSCAR-120-2
spglib-1.6.3/test/data/tetragonal/POSCAR-121
spglib-1.6.3/test/data/tetragonal/POSCAR-121-2
spglib-1.6.3/test/data/tetragonal/POSCAR-122
spglib-1.6.3/test/data/tetragonal/POSCAR-122-2
spglib-1.6.3/test/data/tetragonal/POSCAR-122-3
spglib-1.6.3/test/data/tetragonal/POSCAR-123
spglib-1.6.3/test/data/tetragonal/POSCAR-123-2
spglib-1.6.3/test/data/tetragonal/POSCAR-123-3
spglib-1.6.3/test/data/tetragonal/POSCAR-124
spglib-1.6.3/test/data/tetragonal/POSCAR-124-2
spglib-1.6.3/test/data/tetragonal/POSCAR-125
spglib-1.6.3/test/data/tetragonal/POSCAR-125-2
spglib-1.6.3/test/data/tetragonal/POSCAR-126
spglib-1.6.3/test/data/tetragonal/POSCAR-126-2
spglib-1.6.3/test/data/tetragonal/POSCAR-127
spglib-1.6.3/test/data/tetragonal/POSCAR-127-2
spglib-1.6.3/test/data/tetragonal/POSCAR-128
spglib-1.6.3/test/data/tetragonal/POSCAR-128-2
spglib-1.6.3/test/data/tetragonal/POSCAR-129
spglib-1.6.3/test/data/tetragonal/POSCAR-129-2
spglib-1.6.3/test/data/tetragonal/POSCAR-129-3
spglib-1.6.3/test/data/tetragonal/POSCAR-130
spglib-1.6.3/test/data/tetragonal/POSCAR-130-2
spglib-1.6.3/test/data/tetragonal/POSCAR-131
spglib-1.6.3/test/data/tetragonal/POSCAR-131-2
spglib-1.6.3/test/data/tetragonal/POSCAR-132
spglib-1.6.3/test/data/tetragonal/POSCAR-132-2
spglib-1.6.3/test/data/tetragonal/POSCAR-133
spglib-1.6.3/test/data/tetragonal/POSCAR-133-2
spglib-1.6.3/test/data/tetragonal/POSCAR-134
spglib-1.6.3/test/data/tetragonal/POSCAR-134-2
spglib-1.6.3/test/data/tetragonal/POSCAR-135
spglib-1.6.3/test/data/tetragonal/POSCAR-135-2
spglib-1.6.3/test/data/tetragonal/POSCAR-136
spglib-1.6.3/test/data/tetragonal/POSCAR-136-2
spglib-1.6.3/test/data/tetragonal/POSCAR-136-3
spglib-1.6.3/test/data/tetragonal/POSCAR-136-4
spglib-1.6.3/test/data/tetragonal/POSCAR-136-5
spglib-1.6.3/test/data/tetragonal/POSCAR-137
spglib-1.6.3/test/data/tetragonal/POSCAR-137-2
spglib-1.6.3/test/data/tetragonal/POSCAR-137-3
spglib-1.6.3/test/data/tetragonal/POSCAR-138
spglib-1.6.3/test/data/tetragonal/POSCAR-138-2
spglib-1.6.3/test/data/tetragonal/POSCAR-139
spglib-1.6.3/test/data/tetragonal/POSCAR-139-2
spglib-1.6.3/test/data/tetragonal/POSCAR-140
spglib-1.6.3/test/data/tetragonal/POSCAR-140-2
spglib-1.6.3/test/data/tetragonal/POSCAR-141
spglib-1.6.3/test/data/tetragonal/POSCAR-141-2
spglib-1.6.3/test/data/tetragonal/POSCAR-142
spglib-1.6.3/test/data/tetragonal/POSCAR-142-2
spglib-1.6.3/test/data/tetragonal/POSCAR-142-3
spglib-1.6.3/test/data/others/spg/
spglib-1.6.3/test/data/others/spg/CONTCAR_1
spglib-1.6.3/test/data/others/spg/CONTCAR_2
spglib-1.6.3/test/data/others/spg/CONTCAR_3
spglib-1.6.3/test/data/others/spg/CONTCAR_4
spglib-1.6.3/test/data/others/spg/CONTCAR_5
spglib-1.6.3/test/data/others/spg/CONTCAR_6
spglib-1.6.3/test/data/others/spg/CONTCAR_7
spglib-1.6.3/test/data/others/spg/CONTCAR_8
spglib-1.6.3/test/data/others/spg/README
spglib-1.6.3/test/data/orthorhombic/POSCAR-016
spglib-1.6.3/test/data/orthorhombic/POSCAR-016-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-017-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-018
spglib-1.6.3/test/data/orthorhombic/POSCAR-018-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-019
spglib-1.6.3/test/data/orthorhombic/POSCAR-019-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-020
spglib-1.6.3/test/data/orthorhombic/POSCAR-021
spglib-1.6.3/test/data/orthorhombic/POSCAR-021-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-022
spglib-1.6.3/test/data/orthorhombic/POSCAR-023
spglib-1.6.3/test/data/orthorhombic/POSCAR-023-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-024
spglib-1.6.3/test/data/orthorhombic/POSCAR-024-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-025
spglib-1.6.3/test/data/orthorhombic/POSCAR-025-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-026
spglib-1.6.3/test/data/orthorhombic/POSCAR-026-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-027
spglib-1.6.3/test/data/orthorhombic/POSCAR-027-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-028
spglib-1.6.3/test/data/orthorhombic/POSCAR-028-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-029
spglib-1.6.3/test/data/orthorhombic/POSCAR-029-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-030
spglib-1.6.3/test/data/orthorhombic/POSCAR-030-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-031
spglib-1.6.3/test/data/orthorhombic/POSCAR-031-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-032
spglib-1.6.3/test/data/orthorhombic/POSCAR-032-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-033
spglib-1.6.3/test/data/orthorhombic/POSCAR-033-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-033-3
spglib-1.6.3/test/data/orthorhombic/POSCAR-034
spglib-1.6.3/test/data/orthorhombic/POSCAR-034-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-035
spglib-1.6.3/test/data/orthorhombic/POSCAR-035-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-036
spglib-1.6.3/test/data/orthorhombic/POSCAR-036-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-037
spglib-1.6.3/test/data/orthorhombic/POSCAR-037-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-038
spglib-1.6.3/test/data/orthorhombic/POSCAR-038-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-039
spglib-1.6.3/test/data/orthorhombic/POSCAR-039-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-040
spglib-1.6.3/test/data/orthorhombic/POSCAR-040-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-041
spglib-1.6.3/test/data/orthorhombic/POSCAR-041-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-042
spglib-1.6.3/test/data/orthorhombic/POSCAR-043
spglib-1.6.3/test/data/orthorhombic/POSCAR-043-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-044
spglib-1.6.3/test/data/orthorhombic/POSCAR-044-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-045
spglib-1.6.3/test/data/orthorhombic/POSCAR-045-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-046
spglib-1.6.3/test/data/orthorhombic/POSCAR-046-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-047
spglib-1.6.3/test/data/orthorhombic/POSCAR-047-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-048
spglib-1.6.3/test/data/orthorhombic/POSCAR-048-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-049
spglib-1.6.3/test/data/orthorhombic/POSCAR-049-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-050
spglib-1.6.3/test/data/orthorhombic/POSCAR-050-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-051
spglib-1.6.3/test/data/orthorhombic/POSCAR-051-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-051-3
spglib-1.6.3/test/data/orthorhombic/POSCAR-052
spglib-1.6.3/test/data/orthorhombic/POSCAR-052-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-053
spglib-1.6.3/test/data/orthorhombic/POSCAR-053-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-054
spglib-1.6.3/test/data/orthorhombic/POSCAR-054-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-055
spglib-1.6.3/test/data/orthorhombic/POSCAR-055-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-056
spglib-1.6.3/test/data/orthorhombic/POSCAR-056-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-057
spglib-1.6.3/test/data/orthorhombic/POSCAR-057-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-058
spglib-1.6.3/test/data/orthorhombic/POSCAR-058-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-058-3
spglib-1.6.3/test/data/orthorhombic/POSCAR-059
spglib-1.6.3/test/data/orthorhombic/POSCAR-059-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-060
spglib-1.6.3/test/data/orthorhombic/POSCAR-060-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-060-3
spglib-1.6.3/test/data/orthorhombic/POSCAR-061
spglib-1.6.3/test/data/orthorhombic/POSCAR-061-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-062
spglib-1.6.3/test/data/orthorhombic/POSCAR-062-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-063
spglib-1.6.3/test/data/orthorhombic/POSCAR-063-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-063-3
spglib-1.6.3/test/data/orthorhombic/POSCAR-064
spglib-1.6.3/test/data/orthorhombic/POSCAR-064-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-064-3
spglib-1.6.3/test/data/orthorhombic/POSCAR-065
spglib-1.6.3/test/data/orthorhombic/POSCAR-065-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-065-3
spglib-1.6.3/test/data/orthorhombic/POSCAR-066
spglib-1.6.3/test/data/orthorhombic/POSCAR-066-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-067
spglib-1.6.3/test/data/orthorhombic/POSCAR-067-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-067-3
spglib-1.6.3/test/data/orthorhombic/POSCAR-068
spglib-1.6.3/test/data/orthorhombic/POSCAR-068-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-069
spglib-1.6.3/test/data/orthorhombic/POSCAR-069-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-070
spglib-1.6.3/test/data/orthorhombic/POSCAR-070-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-071
spglib-1.6.3/test/data/orthorhombic/POSCAR-071-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-072
spglib-1.6.3/test/data/orthorhombic/POSCAR-072-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-073
spglib-1.6.3/test/data/orthorhombic/POSCAR-073-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-074
spglib-1.6.3/test/data/orthorhombic/POSCAR-074-2
spglib-1.6.3/test/data/monoclinic/POSCAR-003
spglib-1.6.3/test/data/monoclinic/POSCAR-004
spglib-1.6.3/test/data/monoclinic/POSCAR-004-2
spglib-1.6.3/test/data/monoclinic/POSCAR-005
spglib-1.6.3/test/data/monoclinic/POSCAR-005-2
spglib-1.6.3/test/data/monoclinic/POSCAR-006
spglib-1.6.3/test/data/monoclinic/POSCAR-006-2
spglib-1.6.3/test/data/monoclinic/POSCAR-007
spglib-1.6.3/test/data/monoclinic/POSCAR-007-2
spglib-1.6.3/test/data/monoclinic/POSCAR-008
spglib-1.6.3/test/data/monoclinic/POSCAR-008-2
spglib-1.6.3/test/data/monoclinic/POSCAR-009
spglib-1.6.3/test/data/monoclinic/POSCAR-009-2
spglib-1.6.3/test/data/monoclinic/POSCAR-010
spglib-1.6.3/test/data/monoclinic/POSCAR-010-2
spglib-1.6.3/test/data/monoclinic/POSCAR-011
spglib-1.6.3/test/data/monoclinic/POSCAR-011-2
spglib-1.6.3/test/data/monoclinic/POSCAR-012
spglib-1.6.3/test/data/monoclinic/POSCAR-012-2
spglib-1.6.3/test/data/monoclinic/POSCAR-012-3
spglib-1.6.3/test/data/monoclinic/POSCAR-013
spglib-1.6.3/test/data/monoclinic/POSCAR-013-2
spglib-1.6.3/test/data/monoclinic/POSCAR-013-3
spglib-1.6.3/test/data/monoclinic/POSCAR-014
spglib-1.6.3/test/data/monoclinic/POSCAR-014-2
spglib-1.6.3/test/data/monoclinic/POSCAR-015
spglib-1.6.3/test/data/monoclinic/POSCAR-015-2
spglib-1.6.3/test/data/monoclinic/POSCAR-015-3
spglib-1.6.3/test/data/hexagonal/POSCAR-168
spglib-1.6.3/test/data/hexagonal/POSCAR-169
spglib-1.6.3/test/data/hexagonal/POSCAR-169-2
spglib-1.6.3/test/data/hexagonal/POSCAR-170
spglib-1.6.3/test/data/hexagonal/POSCAR-170-2
spglib-1.6.3/test/data/hexagonal/POSCAR-171
spglib-1.6.3/test/data/hexagonal/POSCAR-171-2
spglib-1.6.3/test/data/hexagonal/POSCAR-172
spglib-1.6.3/test/data/hexagonal/POSCAR-173
spglib-1.6.3/test/data/hexagonal/POSCAR-173-2
spglib-1.6.3/test/data/hexagonal/POSCAR-174
spglib-1.6.3/test/data/hexagonal/POSCAR-174-2
spglib-1.6.3/test/data/hexagonal/POSCAR-175
spglib-1.6.3/test/data/hexagonal/POSCAR-175-2
spglib-1.6.3/test/data/hexagonal/POSCAR-176
spglib-1.6.3/test/data/hexagonal/POSCAR-176-2
spglib-1.6.3/test/data/hexagonal/POSCAR-177
spglib-1.6.3/test/data/hexagonal/POSCAR-179
spglib-1.6.3/test/data/hexagonal/POSCAR-179-2
spglib-1.6.3/test/data/hexagonal/POSCAR-180
spglib-1.6.3/test/data/hexagonal/POSCAR-180-2
spglib-1.6.3/test/data/hexagonal/POSCAR-181
spglib-1.6.3/test/data/hexagonal/POSCAR-181-2
spglib-1.6.3/test/data/hexagonal/POSCAR-182
spglib-1.6.3/test/data/hexagonal/POSCAR-182-2
spglib-1.6.3/test/data/hexagonal/POSCAR-183
spglib-1.6.3/test/data/hexagonal/POSCAR-183-2
spglib-1.6.3/test/data/hexagonal/POSCAR-184
spglib-1.6.3/test/data/hexagonal/POSCAR-184-2
spglib-1.6.3/test/data/hexagonal/POSCAR-185
spglib-1.6.3/test/data/hexagonal/POSCAR-185-2
spglib-1.6.3/test/data/hexagonal/POSCAR-186
spglib-1.6.3/test/data/hexagonal/POSCAR-186-2
spglib-1.6.3/test/data/hexagonal/POSCAR-187
spglib-1.6.3/test/data/hexagonal/POSCAR-187-2
spglib-1.6.3/test/data/hexagonal/POSCAR-188
spglib-1.6.3/test/data/hexagonal/POSCAR-188-2
spglib-1.6.3/test/data/hexagonal/POSCAR-189
spglib-1.6.3/test/data/hexagonal/POSCAR-189-2
spglib-1.6.3/test/data/hexagonal/POSCAR-190
spglib-1.6.3/test/data/hexagonal/POSCAR-190-2
spglib-1.6.3/test/data/hexagonal/POSCAR-191
spglib-1.6.3/test/data/hexagonal/POSCAR-191-2
spglib-1.6.3/test/data/hexagonal/POSCAR-192
spglib-1.6.3/test/data/hexagonal/POSCAR-192-2
spglib-1.6.3/test/data/hexagonal/POSCAR-193
spglib-1.6.3/test/data/hexagonal/POSCAR-193-2
spglib-1.6.3/test/data/hexagonal/POSCAR-194
spglib-1.6.3/test/data/hexagonal/POSCAR-194-2
spglib-1.6.3/test/data/cubic/POSCAR-195
spglib-1.6.3/test/data/cubic/POSCAR-195-2
spglib-1.6.3/test/data/cubic/POSCAR-196
spglib-1.6.3/test/data/cubic/POSCAR-196-2
spglib-1.6.3/test/data/cubic/POSCAR-197
spglib-1.6.3/test/data/cubic/POSCAR-197-2
spglib-1.6.3/test/data/cubic/POSCAR-198
spglib-1.6.3/test/data/cubic/POSCAR-198-2
spglib-1.6.3/test/data/cubic/POSCAR-199
spglib-1.6.3/test/data/cubic/POSCAR-199-2
spglib-1.6.3/test/data/cubic/POSCAR-200
spglib-1.6.3/test/data/cubic/POSCAR-200-2
spglib-1.6.3/test/data/cubic/POSCAR-205
spglib-1.6.3/test/data/cubic/POSCAR-205-3
spglib-1.6.3/test/data/cubic/POSCAR-206
spglib-1.6.3/test/data/cubic/POSCAR-206-2
spglib-1.6.3/test/data/cubic/POSCAR-207
spglib-1.6.3/test/data/cubic/POSCAR-208
spglib-1.6.3/test/data/cubic/POSCAR-208-2
spglib-1.6.3/test/data/cubic/POSCAR-209
spglib-1.6.3/test/data/cubic/POSCAR-210
spglib-1.6.3/test/data/cubic/POSCAR-210-2
spglib-1.6.3/test/data/cubic/POSCAR-211
spglib-1.6.3/test/data/cubic/POSCAR-212
spglib-1.6.3/test/data/cubic/POSCAR-212-2
spglib-1.6.3/test/data/cubic/POSCAR-213
spglib-1.6.3/test/data/cubic/POSCAR-213-2
spglib-1.6.3/test/data/cubic/POSCAR-214
spglib-1.6.3/test/data/cubic/POSCAR-214-2
spglib-1.6.3/test/data/cubic/POSCAR-215
spglib-1.6.3/test/data/cubic/POSCAR-215-2
spglib-1.6.3/test/data/cubic/POSCAR-216
spglib-1.6.3/test/data/cubic/POSCAR-216-2
spglib-1.6.3/test/data/cubic/POSCAR-217
spglib-1.6.3/test/data/cubic/POSCAR-217-2
spglib-1.6.3/test/data/cubic/POSCAR-218
spglib-1.6.3/test/data/cubic/POSCAR-218-2
spglib-1.6.3/test/data/cubic/POSCAR-219
spglib-1.6.3/test/data/cubic/POSCAR-219-2
spglib-1.6.3/test/data/cubic/POSCAR-220
spglib-1.6.3/test/data/cubic/POSCAR-220-2
spglib-1.6.3/test/data/cubic/POSCAR-221
spglib-1.6.3/test/data/cubic/POSCAR-221-2
spglib-1.6.3/test/data/cubic/POSCAR-222
spglib-1.6.3/test/data/cubic/POSCAR-222-2
spglib-1.6.3/test/data/cubic/POSCAR-223
spglib-1.6.3/test/data/cubic/POSCAR-223-2
spglib-1.6.3/test/data/cubic/POSCAR-224
spglib-1.6.3/test/data/cubic/POSCAR-224-2
spglib-1.6.3/test/data/cubic/POSCAR-225
spglib-1.6.3/test/data/cubic/POSCAR-225-2
spglib-1.6.3/test/data/cubic/POSCAR-226
spglib-1.6.3/test/data/cubic/POSCAR-226-2
spglib-1.6.3/test/data/cubic/POSCAR-227
spglib-1.6.3/test/data/cubic/POSCAR-227-2
spglib-1.6.3/test/data/cubic/POSCAR-228
spglib-1.6.3/test/data/cubic/POSCAR-228-2
spglib-1.6.3/test/data/cubic/POSCAR-229
spglib-1.6.3/test/data/cubic/POSCAR-229-2
spglib-1.6.3/test/data/cubic/POSCAR-230
spglib-1.6.3/test/data/cubic/POSCAR-230-2
spglib-1.6.3/test/data/cubic/POSCAR-230-3
spglib-1.6.3/test/data/cubic/POSCAR-230-4
spglib-1.6.3/src/cell.c
spglib-1.6.3/src/cell.h
spglib-1.6.3/src/debug.c
spglib-1.6.3/src/debug.h
spglib-1.6.3/src/hall_symbol.c
spglib-1.6.3/src/hall_symbol.h
spglib-1.6.3/src/kpoint.c
spglib-1.6.3/src/kpoint.h
spglib-1.6.3/src/lattice.c
spglib-1.6.3/src/lattice.h
spglib-1.6.3/src/Makefile.am
spglib-1.6.3/src/Makefile.in
spglib-1.6.3/src/mathfunc.c
spglib-1.6.3/src/mathfunc.h
spglib-1.6.3/src/pointgroup.c
spglib-1.6.3/src/pointgroup.h
spglib-1.6.3/src/primitive.c
spglib-1.6.3/src/primitive.h
spglib-1.6.3/src/refinement.c
spglib-1.6.3/src/refinement.h
spglib-1.6.3/src/site_symmetry.c
spglib-1.6.3/src/site_symmetry.h
spglib-1.6.3/src/sitesym_database.c
spglib-1.6.3/src/sitesym_database.h
spglib-1.6.3/src/spacegroup.c
spglib-1.6.3/src/spacegroup.h
spglib-1.6.3/src/spg_database.c
spglib-1.6.3/src/spg_database.h
spglib-1.6.3/src/spglib.c
spglib-1.6.3/src/spglib.h
spglib-1.6.3/src/spglib_f.c
spglib-1.6.3/src/spin.c
spglib-1.6.3/src/spin.h
spglib-1.6.3/src/symmetry.c
spglib-1.6.3/src/symmetry.h
spglib-1.6.3/src/tetrahedron_method.c
spglib-1.6.3/src/tetrahedron_method.h
spglib-1.6.3/python/ase/
spglib-1.6.3/python/ase/_spglib.c
spglib-1.6.3/python/ase/doc/
spglib-1.6.3/python/ase/examples/
spglib-1.6.3/python/ase/MANIFEST.in
spglib-1.6.3/python/ase/pyspglib/
spglib-1.6.3/python/ase/setup.py
spglib-1.6.3/python/ase/test/
spglib-1.6.3/python/ase/test/atoms.py
spglib-1.6.3/python/ase/test/test_ir_triplets_at_q.py
spglib-1.6.3/python/ase/test/test_stabilized_reciprocal_mesh.py
spglib-1.6.3/python/ase/test/test_symmetry_with_spin.py
spglib-1.6.3/python/ase/test/vasp.py
spglib-1.6.3/python/ase/pyspglib/__init__.py
spglib-1.6.3/python/ase/pyspglib/spglib.py
spglib-1.6.3/python/ase/examples/example_ase.py
spglib-1.6.3/python/ase/examples/example_atoms.py
spglib-1.6.3/python/ase/doc/conf.py
spglib-1.6.3/python/ase/doc/index.rst
spglib-1.6.3/python/ase/doc/Makefile
spglib-1.6.3/m4/libtool.m4
spglib-1.6.3/m4/ltoptions.m4
spglib-1.6.3/m4/ltsugar.m4
spglib-1.6.3/m4/ltversion.m4
spglib-1.6.3/m4/lt~obsolete.m4
spglib-1.6.3/example/example.c
spglib-1.6.3/example/example.f90
spglib-1.6.3/example/example_f08.f90
spglib-1.6.3/example/frequency.dat
spglib-1.6.3/example/Makefile_f08
spglib-1.6.3/example/README
spglib-1.6.3/example/spglib_f08.f90
checking for a BSD-compatible install... /usr/bin/install -c
checking whether build environment is sane... yes
checking for a thread-safe mkdir -p... /bin/mkdir -p
checking for gawk... gawk
checking whether make sets $(MAKE)... yes
checking whether make supports nested variables... yes
checking for gcc... /opt/cray/craype/2.5.4/bin/cc
checking whether the C compiler works... yes
checking for C compiler default output file name... a.out
checking for suffix of executables...
checking whether we are cross compiling... no
checking for suffix of object files... o
checking whether we are using the GNU C compiler... yes
checking whether /opt/cray/craype/2.5.4/bin/cc accepts -g... yes
checking for /opt/cray/craype/2.5.4/bin/cc option to accept ISO C89... none needed
checking whether /opt/cray/craype/2.5.4/bin/cc understands -c and -o together... yes
checking for style of include used by make... GNU
checking dependency style of /opt/cray/craype/2.5.4/bin/cc... gcc3
checking build system type... x86_64-unknown-linux-gnu
checking host system type... x86_64-unknown-linux-gnu
checking how to print strings... printf
checking for a sed that does not truncate output... /usr/bin/sed
checking for grep that handles long lines and -e... /usr/bin/grep
checking for egrep... /usr/bin/grep -E
checking for fgrep... /usr/bin/grep -F
checking for ld used by /opt/cray/craype/2.5.4/bin/cc... /sw/xe_xk_cle5.2UP02_pe2.3.0/xalt/0.7.6/sles11.3/bin/ld
checking if the linker (/sw/xe_xk_cle5.2UP02_pe2.3.0/xalt/0.7.6/sles11.3/bin/ld) is GNU ld... yes
checking for BSD- or MS-compatible name lister (nm)... /usr/bin/nm -B
checking the name lister (/usr/bin/nm -B) interface... BSD nm
checking whether ln -s works... yes
checking the maximum length of command line arguments... 3458764513820540925
checking whether the shell understands some XSI constructs... yes
checking whether the shell understands "+="... yes
checking how to convert x86_64-unknown-linux-gnu file names to x86_64-unknown-linux-gnu format... func_convert_file_noop
checking how to convert x86_64-unknown-linux-gnu file names to toolchain format... func_convert_file_noop
checking for /sw/xe_xk_cle5.2UP02_pe2.3.0/xalt/0.7.6/sles11.3/bin/ld option to reload object files... -r
checking for objdump... objdump
checking how to recognize dependent libraries... pass_all
checking for dlltool... no
checking how to associate runtime and link libraries... printf %s\n
checking for ar... ar
checking for archiver @FILE support... @
checking for strip... strip
checking for ranlib... ranlib
checking command to parse /usr/bin/nm -B output from /opt/cray/craype/2.5.4/bin/cc object... ok
checking for sysroot... no
checking for mt... mt
checking if mt is a manifest tool... no
checking how to run the C preprocessor... /opt/cray/craype/2.5.4/bin/cc -E
checking for ANSI C header files... yes
checking for sys/types.h... yes
checking for sys/stat.h... yes
checking for stdlib.h... yes
checking for string.h... yes
checking for memory.h... yes
checking for strings.h... yes
checking for inttypes.h... yes
checking for stdint.h... yes
checking for unistd.h... yes
checking for dlfcn.h... yes
checking for objdir... .libs
checking if /opt/cray/craype/2.5.4/bin/cc supports -fno-rtti -fno-exceptions... no
checking for /opt/cray/craype/2.5.4/bin/cc option to produce PIC... -fPIC -DPIC
checking if /opt/cray/craype/2.5.4/bin/cc PIC flag -fPIC -DPIC works... yes
checking if /opt/cray/craype/2.5.4/bin/cc static flag -static works... yes
checking if /opt/cray/craype/2.5.4/bin/cc supports -c -o file.o... yes
checking if /opt/cray/craype/2.5.4/bin/cc supports -c -o file.o... (cached) yes
checking whether the /opt/cray/craype/2.5.4/bin/cc linker (/sw/xe_xk_cle5.2UP02_pe2.3.0/xalt/0.7.6/sles11.3/bin/ld -m elf_x86_64) supports shared libraries... yes
checking whether -lc should be explicitly linked in... no
checking dynamic linker characteristics... GNU/Linux ld.so
checking how to hardcode library paths into programs... immediate
checking whether stripping libraries is possible... yes
checking if libtool supports shared libraries... yes
checking whether to build shared libraries... yes
checking whether to build static libraries... yes
checking for sqrt... yes
checking for ANSI C header files... (cached) yes
checking for stdlib.h... (cached) yes
checking for string.h... (cached) yes
checking math.h usability... yes
checking math.h presence... yes
checking for math.h... yes
checking for an ANSI C-conforming const... yes
checking for stdlib.h... (cached) yes
checking for GNU libc compatible malloc... yes
checking that generated files are newer than configure... done
configure: creating ./config.status
config.status: creating Makefile
config.status: creating src/Makefile
config.status: creating config.h
config.status: executing depfiles commands
config.status: executing libtool commands
make all-recursive
make[1]: Entering directory `/mnt/a/u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/lib64'
Making all in src
make[2]: Entering directory `/mnt/a/u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/lib64/src'
/bin/sh ../libtool --tag=CC --mode=compile /opt/cray/craype/2.5.4/bin/cc -DHAVE_CONFIG_H -I. -I/u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/src -I.. -g -O2 -MT cell.lo -MD -MP -MF .deps/cell.Tpo -c -o cell.lo /u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/src/cell.c
libtool: compile: /opt/cray/craype/2.5.4/bin/cc -DHAVE_CONFIG_H -I. -I/u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/src -I.. -g -O2 -MT cell.lo -MD -MP -MF .deps/cell.Tpo -c /u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/src/cell.c -fPIC -DPIC -o .libs/cell.o
libtool: compile: /opt/cray/craype/2.5.4/bin/cc -DHAVE_CONFIG_H -I. -I/u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/src -I.. -g -O2 -MT cell.lo -MD -MP -MF .deps/cell.Tpo -c /u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/src/cell.c -o cell.o >/dev/null 2>&1
mv -f .deps/cell.Tpo .deps/cell.Plo
/bin/sh ../libtool --tag=CC --mode=compile /opt/cray/craype/2.5.4/bin/cc -DHAVE_CONFIG_H -I. -I/u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/src -I.. -g -O2 -MT debug.lo -MD -MP -MF .deps/debug.Tpo -c -o debug.lo /u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/src/debug.c
libtool: compile: /opt/cray/craype/2.5.4/bin/cc -DHAVE_CONFIG_H -I. -I/u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/src -I.. -g -O2 -MT debug.lo -MD -MP -MF .deps/debug.Tpo -c /u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/src/debug.c -fPIC -DPIC -o .libs/debug.o
libtool: compile: /opt/cray/craype/2.5.4/bin/cc -DHAVE_CONFIG_H -I. -I/u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/src -I.. -g -O2 -MT debug.lo -MD -MP -MF .deps/debug.Tpo -c /u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/src/debug.c -o debug.o >/dev/null 2>&1
mv -f .deps/debug.Tpo .deps/debug.Plo
/bin/sh ../libtool --tag=CC --mode=compile /opt/cray/craype/2.5.4/bin/cc -DHAVE_CONFIG_H -I. -I/u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/src -I.. -g -O2 -MT hall_symbol.lo -MD -MP -MF .deps/hall_symbol.Tpo -c -o hall_symbol.lo /u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/src/hall_symbol.c
libtool: compile: /opt/cray/craype/2.5.4/bin/cc -DHAVE_CONFIG_H -I. -I/u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/src -I.. -g -O2 -MT hall_symbol.lo -MD -MP -MF .deps/hall_symbol.Tpo -c /u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/src/hall_symbol.c -fPIC -DPIC -o .libs/hall_symbol.o
libtool: compile: /opt/cray/craype/2.5.4/bin/cc -DHAVE_CONFIG_H -I. -I/u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/src -I.. -g -O2 -MT hall_symbol.lo -MD -MP -MF .deps/hall_symbol.Tpo -c /u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/src/hall_symbol.c -o hall_symbol.o >/dev/null 2>&1
mv -f .deps/hall_symbol.Tpo .deps/hall_symbol.Plo
/bin/sh ../libtool --tag=CC --mode=compile /opt/cray/craype/2.5.4/bin/cc -DHAVE_CONFIG_H -I. -I/u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/src -I.. -g -O2 -MT kpoint.lo -MD -MP -MF .deps/kpoint.Tpo -c -o kpoint.lo /u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/src/kpoint.c
libtool: compile: /opt/cray/craype/2.5.4/bin/cc -DHAVE_CONFIG_H -I. -I/u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/src -I.. -g -O2 -MT kpoint.lo -MD -MP -MF .deps/kpoint.Tpo -c /u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/src/kpoint.c -fPIC -DPIC -o .libs/kpoint.o
libtool: compile: /opt/cray/craype/2.5.4/bin/cc -DHAVE_CONFIG_H -I. -I/u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/src -I.. -g -O2 -MT kpoint.lo -MD -MP -MF .deps/kpoint.Tpo -c /u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/src/kpoint.c -o kpoint.o >/dev/null 2>&1
mv -f .deps/kpoint.Tpo .deps/kpoint.Plo
/bin/sh ../libtool --tag=CC --mode=compile /opt/cray/craype/2.5.4/bin/cc -DHAVE_CONFIG_H -I. -I/u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/src -I.. -g -O2 -MT lattice.lo -MD -MP -MF .deps/lattice.Tpo -c -o lattice.lo /u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/src/lattice.c
libtool: compile: /opt/cray/craype/2.5.4/bin/cc -DHAVE_CONFIG_H -I. -I/u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/src -I.. -g -O2 -MT lattice.lo -MD -MP -MF .deps/lattice.Tpo -c /u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/src/lattice.c -fPIC -DPIC -o .libs/lattice.o
libtool: compile: /opt/cray/craype/2.5.4/bin/cc -DHAVE_CONFIG_H -I. -I/u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/src -I.. -g -O2 -MT lattice.lo -MD -MP -MF .deps/lattice.Tpo -c /u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/src/lattice.c -o lattice.o >/dev/null 2>&1
mv -f .deps/lattice.Tpo .deps/lattice.Plo
/bin/sh ../libtool --tag=CC --mode=compile /opt/cray/craype/2.5.4/bin/cc -DHAVE_CONFIG_H -I. -I/u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/src -I.. -g -O2 -MT mathfunc.lo -MD -MP -MF .deps/mathfunc.Tpo -c -o mathfunc.lo /u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/src/mathfunc.c
libtool: compile: /opt/cray/craype/2.5.4/bin/cc -DHAVE_CONFIG_H -I. -I/u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/src -I.. -g -O2 -MT mathfunc.lo -MD -MP -MF .deps/mathfunc.Tpo -c /u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/src/mathfunc.c -fPIC -DPIC -o .libs/mathfunc.o
libtool: compile: /opt/cray/craype/2.5.4/bin/cc -DHAVE_CONFIG_H -I. -I/u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/src -I.. -g -O2 -MT mathfunc.lo -MD -MP -MF .deps/mathfunc.Tpo -c /u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/src/mathfunc.c -o mathfunc.o >/dev/null 2>&1
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libtool: compile: /opt/cray/craype/2.5.4/bin/cc -DHAVE_CONFIG_H -I. -I/u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/src -I.. -g -O2 -MT pointgroup.lo -MD -MP -MF .deps/pointgroup.Tpo -c /u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/src/pointgroup.c -fPIC -DPIC -o .libs/pointgroup.o
libtool: compile: /opt/cray/craype/2.5.4/bin/cc -DHAVE_CONFIG_H -I. -I/u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/src -I.. -g -O2 -MT pointgroup.lo -MD -MP -MF .deps/pointgroup.Tpo -c /u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/src/pointgroup.c -o pointgroup.o >/dev/null 2>&1
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libtool: compile: /opt/cray/craype/2.5.4/bin/cc -DHAVE_CONFIG_H -I. -I/u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/src -I.. -g -O2 -MT primitive.lo -MD -MP -MF .deps/primitive.Tpo -c /u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/src/primitive.c -fPIC -DPIC -o .libs/primitive.o
libtool: compile: /opt/cray/craype/2.5.4/bin/cc -DHAVE_CONFIG_H -I. -I/u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/src -I.. -g -O2 -MT primitive.lo -MD -MP -MF .deps/primitive.Tpo -c /u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/src/primitive.c -o primitive.o >/dev/null 2>&1
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libtool: compile: /opt/cray/craype/2.5.4/bin/cc -DHAVE_CONFIG_H -I. -I/u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/src -I.. -g -O2 -MT refinement.lo -MD -MP -MF .deps/refinement.Tpo -c /u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/src/refinement.c -fPIC -DPIC -o .libs/refinement.o
libtool: compile: /opt/cray/craype/2.5.4/bin/cc -DHAVE_CONFIG_H -I. -I/u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/src -I.. -g -O2 -MT refinement.lo -MD -MP -MF .deps/refinement.Tpo -c /u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/src/refinement.c -o refinement.o >/dev/null 2>&1
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libtool: compile: /opt/cray/craype/2.5.4/bin/cc -DHAVE_CONFIG_H -I. -I/u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/src -I.. -g -O2 -MT site_symmetry.lo -MD -MP -MF .deps/site_symmetry.Tpo -c /u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/src/site_symmetry.c -fPIC -DPIC -o .libs/site_symmetry.o
libtool: compile: /opt/cray/craype/2.5.4/bin/cc -DHAVE_CONFIG_H -I. -I/u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/src -I.. -g -O2 -MT site_symmetry.lo -MD -MP -MF .deps/site_symmetry.Tpo -c /u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/src/site_symmetry.c -o site_symmetry.o >/dev/null 2>&1
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libtool: compile: /opt/cray/craype/2.5.4/bin/cc -DHAVE_CONFIG_H -I. -I/u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/src -I.. -g -O2 -MT sitesym_database.lo -MD -MP -MF .deps/sitesym_database.Tpo -c /u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/src/sitesym_database.c -fPIC -DPIC -o .libs/sitesym_database.o
libtool: compile: /opt/cray/craype/2.5.4/bin/cc -DHAVE_CONFIG_H -I. -I/u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/src -I.. -g -O2 -MT sitesym_database.lo -MD -MP -MF .deps/sitesym_database.Tpo -c /u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/src/sitesym_database.c -o sitesym_database.o >/dev/null 2>&1
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/bin/sh ../libtool --tag=CC --mode=compile /opt/cray/craype/2.5.4/bin/cc -DHAVE_CONFIG_H -I. -I/u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/src -I.. -g -O2 -MT spacegroup.lo -MD -MP -MF .deps/spacegroup.Tpo -c -o spacegroup.lo /u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/src/spacegroup.c
libtool: compile: /opt/cray/craype/2.5.4/bin/cc -DHAVE_CONFIG_H -I. -I/u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/src -I.. -g -O2 -MT spacegroup.lo -MD -MP -MF .deps/spacegroup.Tpo -c /u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/src/spacegroup.c -fPIC -DPIC -o .libs/spacegroup.o
libtool: compile: /opt/cray/craype/2.5.4/bin/cc -DHAVE_CONFIG_H -I. -I/u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/src -I.. -g -O2 -MT spacegroup.lo -MD -MP -MF .deps/spacegroup.Tpo -c /u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/src/spacegroup.c -o spacegroup.o >/dev/null 2>&1
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libtool: compile: /opt/cray/craype/2.5.4/bin/cc -DHAVE_CONFIG_H -I. -I/u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/src -I.. -g -O2 -MT spg_database.lo -MD -MP -MF .deps/spg_database.Tpo -c /u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/src/spg_database.c -fPIC -DPIC -o .libs/spg_database.o
libtool: compile: /opt/cray/craype/2.5.4/bin/cc -DHAVE_CONFIG_H -I. -I/u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/src -I.. -g -O2 -MT spg_database.lo -MD -MP -MF .deps/spg_database.Tpo -c /u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/src/spg_database.c -o spg_database.o >/dev/null 2>&1
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libtool: compile: /opt/cray/craype/2.5.4/bin/cc -DHAVE_CONFIG_H -I. -I/u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/src -I.. -g -O2 -MT spglib.lo -MD -MP -MF .deps/spglib.Tpo -c /u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/src/spglib.c -fPIC -DPIC -o .libs/spglib.o
libtool: compile: /opt/cray/craype/2.5.4/bin/cc -DHAVE_CONFIG_H -I. -I/u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/src -I.. -g -O2 -MT spglib.lo -MD -MP -MF .deps/spglib.Tpo -c /u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/src/spglib.c -o spglib.o >/dev/null 2>&1
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libtool: compile: /opt/cray/craype/2.5.4/bin/cc -DHAVE_CONFIG_H -I. -I/u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/src -I.. -g -O2 -MT spglib_f.lo -MD -MP -MF .deps/spglib_f.Tpo -c /u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/src/spglib_f.c -fPIC -DPIC -o .libs/spglib_f.o
libtool: compile: /opt/cray/craype/2.5.4/bin/cc -DHAVE_CONFIG_H -I. -I/u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/src -I.. -g -O2 -MT spglib_f.lo -MD -MP -MF .deps/spglib_f.Tpo -c /u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/src/spglib_f.c -o spglib_f.o >/dev/null 2>&1
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libtool: compile: /opt/cray/craype/2.5.4/bin/cc -DHAVE_CONFIG_H -I. -I/u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/src -I.. -g -O2 -MT spin.lo -MD -MP -MF .deps/spin.Tpo -c /u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/src/spin.c -fPIC -DPIC -o .libs/spin.o
libtool: compile: /opt/cray/craype/2.5.4/bin/cc -DHAVE_CONFIG_H -I. -I/u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/src -I.. -g -O2 -MT spin.lo -MD -MP -MF .deps/spin.Tpo -c /u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/src/spin.c -o spin.o >/dev/null 2>&1
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libtool: compile: /opt/cray/craype/2.5.4/bin/cc -DHAVE_CONFIG_H -I. -I/u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/src -I.. -g -O2 -MT symmetry.lo -MD -MP -MF .deps/symmetry.Tpo -c /u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/src/symmetry.c -fPIC -DPIC -o .libs/symmetry.o
libtool: compile: /opt/cray/craype/2.5.4/bin/cc -DHAVE_CONFIG_H -I. -I/u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/src -I.. -g -O2 -MT symmetry.lo -MD -MP -MF .deps/symmetry.Tpo -c /u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/src/symmetry.c -o symmetry.o >/dev/null 2>&1
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/bin/sh ../libtool --tag=CC --mode=compile /opt/cray/craype/2.5.4/bin/cc -DHAVE_CONFIG_H -I. -I/u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/src -I.. -g -O2 -MT tetrahedron_method.lo -MD -MP -MF .deps/tetrahedron_method.Tpo -c -o tetrahedron_method.lo /u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/src/tetrahedron_method.c
libtool: compile: /opt/cray/craype/2.5.4/bin/cc -DHAVE_CONFIG_H -I. -I/u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/src -I.. -g -O2 -MT tetrahedron_method.lo -MD -MP -MF .deps/tetrahedron_method.Tpo -c /u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/src/tetrahedron_method.c -fPIC -DPIC -o .libs/tetrahedron_method.o
libtool: compile: /opt/cray/craype/2.5.4/bin/cc -DHAVE_CONFIG_H -I. -I/u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/src -I.. -g -O2 -MT tetrahedron_method.lo -MD -MP -MF .deps/tetrahedron_method.Tpo -c /u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/src/tetrahedron_method.c -o tetrahedron_method.o >/dev/null 2>&1
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/bin/sh ../libtool --tag=CC --mode=link /opt/cray/craype/2.5.4/bin/cc -g -O2 -o libsymspg.la -rpath /u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/lib64 cell.lo debug.lo hall_symbol.lo kpoint.lo lattice.lo mathfunc.lo pointgroup.lo primitive.lo refinement.lo site_symmetry.lo sitesym_database.lo spacegroup.lo spg_database.lo spglib.lo spglib_f.lo spin.lo symmetry.lo tetrahedron_method.lo -lm
libtool: link: /opt/cray/craype/2.5.4/bin/cc -shared -fPIC -DPIC .libs/cell.o .libs/debug.o .libs/hall_symbol.o .libs/kpoint.o .libs/lattice.o .libs/mathfunc.o .libs/pointgroup.o .libs/primitive.o .libs/refinement.o .libs/site_symmetry.o .libs/sitesym_database.o .libs/spacegroup.o .libs/spg_database.o .libs/spglib.o .libs/spglib_f.o .libs/spin.o .libs/symmetry.o .libs/tetrahedron_method.o -lm -O2 -Wl,-soname -Wl,libsymspg.so.0 -o .libs/libsymspg.so.0.0.0
libtool: link: (cd ".libs" && rm -f "libsymspg.so.0" && ln -s "libsymspg.so.0.0.0" "libsymspg.so.0")
libtool: link: (cd ".libs" && rm -f "libsymspg.so" && ln -s "libsymspg.so.0.0.0" "libsymspg.so")
libtool: link: ar cru .libs/libsymspg.a cell.o debug.o hall_symbol.o kpoint.o lattice.o mathfunc.o pointgroup.o primitive.o refinement.o site_symmetry.o sitesym_database.o spacegroup.o spg_database.o spglib.o spglib_f.o spin.o symmetry.o tetrahedron_method.o
libtool: link: ranlib .libs/libsymspg.a
libtool: link: ( cd ".libs" && rm -f "libsymspg.la" && ln -s "../libsymspg.la" "libsymspg.la" )
make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/lib64/src'
make[2]: Entering directory `/mnt/a/u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/lib64'
make[2]: Nothing to be done for `all-am'.
make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/lib64'
make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/lib64'
-- Found LIBSPG: /u/system/bwjenkins/rmg-spp/rmg-release_2.1/lib/spglib-1.6.3/lib64/libsymspg.a
-- Found Subversion: /usr/bin/svn (found version "1.6.17")
CMake Warning (dev) at SubprojectIncludes/CMakeLists.txt.rmg.inc:5 (add_dependencies):
Policy CMP0046 is not set: Error on non-existent dependency in
add_dependencies. Run "cmake --help-policy CMP0046" for policy details.
Use the cmake_policy command to set the policy and suppress this warning.
The dependency target "libspg" of target "rmg-cpu" does not exist.
Call Stack (most recent call first):
CMakeLists.txt:589 (include)
This warning is for project developers. Use -Wno-dev to suppress it.
-- Configuring done
nice make -j12 rmg-cpu
-- Generating done
-- Build files have been written to: /u/system/bwjenkins/rmg-spp/rmg-release_2.1/build-cpu
Scanning dependencies of target InternalPseudo
Scanning dependencies of target XC1
Scanning dependencies of target XC
[ 1%] Building Fortran object XC/CMakeFiles/XC1.dir/kind.f90.o
[ 1%] Scanning dependencies of target MG
Building C object XC_useLIBXC/CMakeFiles/XC.dir/xclda_libxc.c.o
[ 1%] Building CXX object InternalPseudo/CMakeFiles/InternalPseudo.dir/InternalPseudo.cpp.o
Scanning dependencies of target RMG_Spin
[ 1%] Building CXX object MG/CMakeFiles/MG.dir/Mgrid_Cbindings.cpp.o
Scanning dependencies of target RMG_Subdiag
[ 1%] Building CXX object RMG/Spin/CMakeFiles/RMG_Spin.dir/GetOppositeEigvals.cpp.o
Scanning dependencies of target Force
[ 2%] Building C object XC_useLIBXC/CMakeFiles/XC.dir/xclsda_spin_libxc.c.o
[ 2%] [ 2%] Scanning dependencies of target RMG_Spin_XC
Building CXX object Force/CMakeFiles/Force.dir/CorrectForces.cpp.o
Building CXX object RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/ApplyOperators.cpp.o
[ 3%] Building Fortran object XC/CMakeFiles/XC1.dir/io_global.f90.o
[ 3%] [ 3%] Building C object RMG/Spin/XC_notuseLIBXC/CMakeFiles/RMG_Spin_XC.dir/xcgga.c.o
[ 3%] Building C object XC_useLIBXC/CMakeFiles/XC.dir/xcgga_libxc.c.o
Building Fortran object XC/CMakeFiles/XC1.dir/constants.f90.o
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/XC_useLIBXC/xcgga_libxc.c: In function 'xcgga_libxc':
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/XC_useLIBXC/xcgga_libxc.c:98:8: warning: 'func_id_c' may be used uninitialized in this function [-Wmaybe-uninitialized]
if(xc_func_init(&func_c, func_id_c, XC_UNPOLARIZED) != 0)
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/XC_useLIBXC/xcgga_libxc.c:95:8: warning: 'func_id_x' may be used uninitialized in this function [-Wmaybe-uninitialized]
if(xc_func_init(&func_x, func_id_x, XC_UNPOLARIZED) != 0)
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/XC_useLIBXC/xcgga_spin_libxc.c: In function 'xcgga_spin_libxc':
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/XC_useLIBXC/xcgga_spin_libxc.c:108:8: warning: 'func_id_c' may be used uninitialized in this function [-Wmaybe-uninitialized]
if(xc_func_init(&func_c, func_id_c, XC_POLARIZED) != 0)
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/XC_useLIBXC/xcgga_spin_libxc.c:101:8: warning: 'func_id_x' may be used uninitialized in this function [-Wmaybe-uninitialized]
if(xc_func_init(&func_x, func_id_x, XC_POLARIZED) != 0)
^
[ 3%] Building Fortran object XC/CMakeFiles/XC1.dir/funct.f90.o
[ 3%] Building C object XC_useLIBXC/CMakeFiles/XC.dir/xcgga_spin_libxc.c.o
Scanning dependencies of target Finite_diff
[ 3%] Building C object RMG/Spin/XC_notuseLIBXC/CMakeFiles/RMG_Spin_XC.dir/xcgga_spin.c.o
[ 3%] Building CXX object Finite_diff/CMakeFiles/Finite_diff.dir/ApplyGradient.cpp.o
[ 5%] Building C object RMG/Spin/XC_notuseLIBXC/CMakeFiles/RMG_Spin_XC.dir/xclda.c.o
[ 5%] Building C object XC_useLIBXC/CMakeFiles/XC.dir/get_vxc.c.o
Scanning dependencies of target Input
[ 5%] Building C object XC_useLIBXC/CMakeFiles/XC.dir/get_vxc_exc.c.o
[ 5%] Building C object RMG/Spin/XC_notuseLIBXC/CMakeFiles/RMG_Spin_XC.dir/xclsda_spin.c.o
[ 5%] Building CXX object Input/CMakeFiles/Input.dir/AutoSet.cpp.o
[ 5%] Building Fortran object XC_useLIBXC/CMakeFiles/XC.dir/pbe.f.o
[ 5%] Building Fortran object XC_useLIBXC/CMakeFiles/XC.dir/bpgcxc.f.o
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Spin/XC_notuseLIBXC/gcxcpw91.c: In function 'gcxcpw91':
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Spin/XC_notuseLIBXC/gcxcpw91.c:34:6: warning: variable 'iflag' set but not used [-Wunused-but-set-variable]
int iflag;
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Spin/XC_notuseLIBXC/gcxcpw91.c: In function 'ggac_spin':
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Spin/XC_notuseLIBXC/gcxcpw91.c:149:52: warning: variable 'dh0dw' set but not used [-Wunused-but-set-variable]
double fz, fz2, fz3, fz4, dfz, bfup, bfdw, dh0up, dh0dw, dh0zup, dh0zdw, dh1zup, dh1zdw;
^
[ 5%] Building C object RMG/Spin/XC_notuseLIBXC/CMakeFiles/RMG_Spin_XC.dir/gcxcblyp.c.o
[ 7%] Building C object RMG/Spin/XC_notuseLIBXC/CMakeFiles/RMG_Spin_XC.dir/gcxcpw91.c.o
[ 7%] Building Fortran object XC_useLIBXC/CMakeFiles/XC.dir/gga91_sr.f.o
[ 7%] Building C object RMG/Spin/XC_notuseLIBXC/CMakeFiles/RMG_Spin_XC.dir/gcxcblyp_spin.c.o
[ 7%] Building C object XC_useLIBXC/CMakeFiles/XC.dir/corlyp.c.o
[ 7%] Building C object RMG/Spin/XC_notuseLIBXC/CMakeFiles/RMG_Spin_XC.dir/gcxcpbe.c.o
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/XC_useLIBXC/get_mgga_vxc.c: In function 'get_mgga_vxc':
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/XC_useLIBXC/get_mgga_vxc.c:14:26: warning: 'nrho_oppo' may be used uninitialized in this function [-Wmaybe-uninitialized]
double *exc, *nrho, *nrho_oppo;
^
[ 7%] Building C object XC_useLIBXC/CMakeFiles/XC.dir/get_mgga_vxc.c.o
[ 8%] Building C object RMG/Spin/XC_notuseLIBXC/CMakeFiles/RMG_Spin_XC.dir/lsd_glyp.c.o
[ 8%] Building Fortran object XC/CMakeFiles/XC1.dir/vdw_splines.f90.o
[ 9%] [ 9%] Building C object RMG/Spin/XC_notuseLIBXC/CMakeFiles/RMG_Spin_XC.dir/lyp.c.o
Building Fortran object XC/CMakeFiles/XC1.dir/functionals.F90.o
[ 9%] Building C object XC_useLIBXC/CMakeFiles/XC.dir/get_mgga_exc_vxc.c.o
[ 9%] Building C object RMG/Spin/XC_notuseLIBXC/CMakeFiles/RMG_Spin_XC.dir/gcxcpw91_spin.c.o
[ 9%] Building C object XC_useLIBXC/CMakeFiles/XC.dir/get_te_tau.c.o
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/Force/CorrectForces.cpp: In function 'void CorrectForces(double*, double*, double*, double*, double*)':
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/Force/CorrectForces.cpp:57:45: warning: unused variable 'mone' [-Wunused-variable]
double alpha = get_vel_f(), zero = 0.0, mone = -1.0;
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/XC_useLIBXC/get_te_tau.c: In function 'get_te_tau':
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/XC_useLIBXC/get_te_tau.c:16:26: warning: 'nrho_oppo' may be used uninitialized in this function [-Wmaybe-uninitialized]
double *exc, *nrho, *nrho_oppo;
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Spin/XC_notuseLIBXC/pbex.c: In function 'pbec_spin':
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Spin/XC_notuseLIBXC/pbex.c:84:23: warning: variable 'fz4' set but not used [-Wunused-but-set-variable]
double fz, fz2, fz3, fz4, dfz, bfup, bfdw, dh0up, dh0dw, dh0zup, dh0zdw;
^
[ 9%] Building C object RMG/Spin/XC_notuseLIBXC/CMakeFiles/RMG_Spin_XC.dir/pbex.c.o
[ 10%] Building C object RMG/Spin/XC_notuseLIBXC/CMakeFiles/RMG_Spin_XC.dir/perdew86.c.o
[ 10%] Building Fortran object XC/CMakeFiles/XC1.dir/lsda_functionals.F90.o
[ 10%] Building C object XC_useLIBXC/CMakeFiles/XC.dir/mgga_libxc.c.o
[ 10%] Building C object RMG/Spin/XC_notuseLIBXC/CMakeFiles/RMG_Spin_XC.dir/gcxcpbe_spin.c.o
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/XC_useLIBXC/mix_tau.c: In function 'mix_tau':
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/XC_useLIBXC/mix_tau.c:14:37: warning: unused variable 'residhist' [-Wunused-variable]
static double **rhohist=NULL, **residhist=NULL;
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/XC_useLIBXC/mix_tau.c:14:21: warning: unused variable 'rhohist' [-Wunused-variable]
static double **rhohist=NULL, **residhist=NULL;
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/XC_useLIBXC/mix_tau.c:13:9: warning: unused variable 'step' [-Wunused-variable]
int step, inc = 1;
^
[ 11%] Building C object XC_useLIBXC/CMakeFiles/XC.dir/mix_tau.c.o
[ 11%] Building C object RMG/Spin/XC_notuseLIBXC/CMakeFiles/RMG_Spin_XC.dir/gcxbcp.c.o
[ 12%] Building Fortran object XC/CMakeFiles/XC1.dir/metagga.F90.o
Linking Fortran static library libXC.a
[ 12%] Built target XC
[ 13%] Building Fortran object XC/CMakeFiles/XC1.dir/capital.f90.o
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/Force/constrain.c: In function 'constrain':
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/Force/constrain.c:443:51: warning: 'iptr' may be used uninitialized in this function [-Wmaybe-uninitialized]
iptr->constraint.forcemask[Y] = (Mag_T - FdotT) * Tau[3*ion+Y];
^
[ 13%] Building C object RMG/Spin/XC_notuseLIBXC/CMakeFiles/RMG_Spin_XC.dir/gcxbcp_spin.c.o
[ 13%] Building Fortran object XC/CMakeFiles/XC1.dir/expint.f90.o
[ 13%] Building C object MG/CMakeFiles/MG.dir/find_grid_owner.c.o
[ 14%] Building CXX object RMG/Spin/CMakeFiles/RMG_Spin.dir/GetOppositeOccupancies.cpp.o
[ 14%] Building Fortran object XC/CMakeFiles/XC1.dir/erf.f90.o
Linking CXX static library libMG.a
[ 15%] [ 16%] Building C object RMG/Spin/XC_notuseLIBXC/CMakeFiles/RMG_Spin_XC.dir/xclda_pz81.c.o
Building Fortran object XC/CMakeFiles/XC1.dir/matches.f90.o
Scanning dependencies of target Misc
[ 16%] Building CXX object Force/CMakeFiles/Force.dir/Lforce.cpp.o
[ 16%] Built target MG
[ 16%] [ 16%] Building C object Force/CMakeFiles/Force.dir/constrain.c.o
Linking C static library libRMG_Spin_XC.a
Building Fortran object XC/CMakeFiles/XC1.dir/more_functionals.F90.o
[ 16%] Building CXX object RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/Subdiag.cpp.o
[ 16%] Built target RMG_Spin_XC
[ 17%] Building CXX object XC/CMakeFiles/XC1.dir/vdw_correlation.cpp.o
[ 18%] Building CXX object Misc/CMakeFiles/Misc.dir/InitPe4image.cpp.o
[ 18%] Building CXX object Misc/CMakeFiles/Misc.dir/InitPe4kpspin.cpp.o
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Building CXX object Finite_diff/CMakeFiles/Finite_diff.dir/ApplyLaplacian.cpp.o
Scanning dependencies of target RMG_Common
[ 18%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/GetPhase.cpp.o
[ 18%] Building CXX object Input/CMakeFiles/Input.dir/SetupGrids.cpp.o
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/XC/vdw_correlation.cpp: In constructor 'Vdw::Vdw(BaseGrid&, Lattice&, TradeImages&, int, double*, double*, double&, double&, double*, bool)':
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/XC/vdw_correlation.cpp:192:10: warning: variable 'filter_ratio' set but not used [-Wunused-but-set-variable]
double filter_ratio = 1.0;
^
[ 18%] Building C object RMG/Spin/CMakeFiles/RMG_Spin.dir/get_rho_oppo.c.o
Linking CXX static library libRMG_Spin.a
[ 18%] Built target RMG_Spin
[ 18%] [ 18%] Building CXX object XC/CMakeFiles/XC1.dir/Functional.cpp.o
Building CXX object Force/CMakeFiles/Force.dir/Force.cpp.o
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/XC/vdw_correlation.cpp: In constructor 'Vdw::Vdw(BaseGrid&, Lattice&, TradeImages&, int, double*, double*, double&, double&, double*, bool)':
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/XC/vdw_correlation.cpp:393:59: warning: 'calc_rho' may be used uninitialized in this function [-Wmaybe-uninitialized]
GetVtotPsi (calc_rho, total_rho, G.default_FG_RATIO);
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/XC/vdw_correlation.cpp:394:51: warning: 'calc_gx' may be used uninitialized in this function [-Wmaybe-uninitialized]
GetVtotPsi (calc_gx, gx, G.default_FG_RATIO);
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/XC/vdw_correlation.cpp:395:51: warning: 'calc_gy' may be used uninitialized in this function [-Wmaybe-uninitialized]
GetVtotPsi (calc_gy, gy, G.default_FG_RATIO);
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/XC/vdw_correlation.cpp:396:51: warning: 'calc_gz' may be used uninitialized in this function [-Wmaybe-uninitialized]
GetVtotPsi (calc_gz, gz, G.default_FG_RATIO);
^
Scanning dependencies of target RmgLib
[ 20%] Building CXX object RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/Subdiag_Lapack.cpp.o
[ 21%] Building CXX object RmgLib/CMakeFiles/RmgLib.dir/src/Lattice.cpp.o
[ 21%] [ 21%] Building CXX object Misc/CMakeFiles/Misc.dir/VhDriver.cpp.o
Building CXX object RmgLib/CMakeFiles/RmgLib.dir/src/TradeImages.cpp.o
[ 21%] Building CXX object Finite_diff/CMakeFiles/Finite_diff.dir/ApplyAOperator.cpp.o
[ 22%] Building CXX object Misc/CMakeFiles/Misc.dir/Pw.cpp.o
[ 22%] Building CXX object Misc/CMakeFiles/Misc.dir/PfftForward.cpp.o
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Scanning dependencies of target US_PP
[ 22%] Building CXX object US_PP/CMakeFiles/US_PP.dir/PackGftoc.cpp.o
[ 22%] Building CXX object US_PP/CMakeFiles/US_PP.dir/GetPhaseSpecies.cpp.o
[ 23%] Building CXX object Input/CMakeFiles/Input.dir/GetPrimeFactors.cpp.o
[ 24%] /u/system/bwjenkins/rmg-spp/rmg-release_2.1/Force/iiforce.c: In function 'iiforce':
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/Force/iiforce.c:49:20: warning: unused variable 'tz' [-Wunused-variable]
double tx, ty, tz;
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/Force/iiforce.c:49:16: warning: unused variable 'ty' [-Wunused-variable]
double tx, ty, tz;
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/Force/iiforce.c:49:12: warning: unused variable 'tx' [-Wunused-variable]
double tx, ty, tz;
^
Building C object Force/CMakeFiles/Force.dir/iiforce.c.o
Linking CXX static library libXC1.a
[ 24%] Built target XC1
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Building CXX object US_PP/CMakeFiles/US_PP.dir/Ylm.cpp.o
[ 26%] Building CXX object Finite_diff/CMakeFiles/Finite_diff.dir/ApplyBOperator.cpp.o
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Building CXX object Misc/CMakeFiles/Misc.dir/GeneralDiag.cpp.o
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[ 27%] Building CXX object Input/CMakeFiles/Input.dir/ReadForces.cpp.o
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/Misc/GeneralDiag.cpp: In function 'int GeneralDiagScaLapack(double*, double*, double*, double*, int, int, int)':
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/Misc/GeneralDiag.cpp:218:9: warning: unused variable 'scalapack_npes' [-Wunused-variable]
int scalapack_npes = scalapack_nprow * scalapack_npcol;
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/Misc/GeneralDiag.cpp:219:9: warning: unused variable 'root_npes' [-Wunused-variable]
int root_npes = MainSp->GetRootNpes();
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/Misc/GeneralDiag.cpp: In instantiation of 'int GeneralDiagLapack(KpointType*, KpointType*, double*, KpointType*, int, int, int) [with KpointType = double]':
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/Misc/GeneralDiag.cpp:111:107: required from here
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/Misc/GeneralDiag.cpp:119:10: warning: unused variable 'use_folded' [-Wunused-variable]
bool use_folded = ((ct.use_folded_spectrum && (ct.scf_steps > 6)) || (ct.use_folded_spectrum && (ct.runflag == RESTART)));
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/Misc/GeneralDiag.cpp: In instantiation of 'int GeneralDiagLapack(KpointType*, KpointType*, double*, KpointType*, int, int, int) [with KpointType = std::complex<double>]':
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/Misc/GeneralDiag.cpp:113:21: required from here
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/Misc/GeneralDiag.cpp:119:10: warning: unused variable 'use_folded' [-Wunused-variable]
Linking CXX static library libForce.a
[ 27%] Built target Force
[ 27%] Building CXX object Input/CMakeFiles/Input.dir/ReadVelocities.cpp.o
[ 28%] [ 29%] Building CXX object RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/Subdiag_Scalapack.cpp.o
Building CXX object US_PP/CMakeFiles/US_PP.dir/CubicHarmonic.cpp.o
[ 29%] Building CXX object Input/CMakeFiles/Input.dir/ReadInit.cpp.o
[ 29%] Building CXX object Input/CMakeFiles/Input.dir/ReadRmgAtoms.cpp.o
[ 29%] Building CXX object RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/FoldedSpectrum.cpp.o
[ 29%] Building CXX object Misc/CMakeFiles/Misc.dir/VhPfft.cpp.o
[ 30%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/DavPreconditioner.cpp.o
[ 30%] /u/system/bwjenkins/rmg-spp/rmg-release_2.1/US_PP/CubicHarmonic.cpp: In function 'double CubicHarmonic(int, int, double*)':
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/US_PP/CubicHarmonic.cpp:21:37: warning: unused variable 'm_spherical' [-Wunused-variable]
double xymod, rmod, theta, phi, m_spherical;
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Subdiag/Subdiag_Scalapack.cpp: In instantiation of 'char* Subdiag_Scalapack(Kpoint<StateType>*, KpointType*, KpointType*, KpointType*, double*, KpointType*) [with KpointType = double]':
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Subdiag/Subdiag_Scalapack.cpp:50:137: required from here
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Subdiag/Subdiag_Scalapack.cpp:228:23: warning: unused variable 'range' [-Wunused-variable]
char *range = "a";
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Subdiag/Subdiag_Scalapack.cpp:68:18: warning: unused variable 'trans_t' [-Wunused-variable]
static char *trans_t = "t";
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Subdiag/Subdiag_Scalapack.cpp:75:9: warning: variable 'izero' set but not used [-Wunused-but-set-variable]
int izero = 0;
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Subdiag/Subdiag_Scalapack.cpp: In instantiation of 'char* Subdiag_Scalapack(Kpoint<StateType>*, KpointType*, KpointType*, KpointType*, double*, KpointType*) [with KpointType = std::complex<double>]':
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Subdiag/Subdiag_Scalapack.cpp:51:222: required from here
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Subdiag/Subdiag_Scalapack.cpp:228:23: warning: unused variable 'range' [-Wunused-variable]
char *range = "a";
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Subdiag/Subdiag_Scalapack.cpp:68:18: warning: unused variable 'trans_t' [-Wunused-variable]
static char *trans_t = "t";
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Subdiag/Subdiag_Scalapack.cpp:75:9: warning: variable 'izero' set but not used [-Wunused-but-set-variable]
int izero = 0;
^
Building CXX object RmgLib/CMakeFiles/RmgLib.dir/src/BaseThread.cpp.o
[ 31%] Building CXX object Finite_diff/CMakeFiles/Finite_diff.dir/AppCilrSixth.cpp.o
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Subdiag/FoldedSpectrum.cpp: In instantiation of 'int FoldedSpectrum(Kpoint<StateType>*, int, KpointType*, int, KpointType*, int, double*, double*, int, int*, int, KpointType*, int) [with KpointType = double]':
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Subdiag/FoldedSpectrum.cpp:71:141: required from here
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Subdiag/FoldedSpectrum.cpp:81:16: warning: unused variable 'ZERO_t' [-Wunused-variable]
KpointType ZERO_t(0.0);
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Subdiag/FoldedSpectrum.cpp:85:14: warning: unused variable 'L' [-Wunused-variable]
Lattice *L = kptr->L;
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Subdiag/FoldedSpectrum.cpp:88:11: warning: unused variable 'trans_t' [-Wunused-variable]
char *trans_t="t", *trans_n="n";
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Subdiag/FoldedSpectrum.cpp:88:25: warning: unused variable 'trans_n' [-Wunused-variable]
char *trans_t="t", *trans_n="n";
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Subdiag/FoldedSpectrum.cpp:89:25: warning: unused variable 'side' [-Wunused-variable]
char *cuplo = "l", *side="l", *diag="n", *jobz="V";
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Subdiag/FoldedSpectrum.cpp:89:36: warning: unused variable 'diag' [-Wunused-variable]
char *cuplo = "l", *side="l", *diag="n", *jobz="V";
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Subdiag/FoldedSpectrum.cpp:91:9: warning: unused variable 'ione' [-Wunused-variable]
int ione=1, itype=1, info=0;
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Subdiag/FoldedSpectrum.cpp:91:17: warning: unused variable 'itype' [-Wunused-variable]
int ione=1, itype=1, info=0;
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Subdiag/FoldedSpectrum.cpp:92:12: warning: unused variable 'rone' [-Wunused-variable]
double rone = 1.0;
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Subdiag/FoldedSpectrum.cpp:140:17: warning: unused variable 'NULLptr' [-Wunused-variable]
KpointType *NULLptr = NULL;
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/Input/ReadVelocities.cpp: In function 'void ReadVelocities(char*, CONTROL&, std::unordered_map<std::basic_string<char>, InputKey*>&)':
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/Input/ReadVelocities.cpp:62:26: warning: comparison between signed and unsigned integer expressions [-Wsign-compare]
if(Velocities.size() != lc.num_ions) {
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/Input/ReadForces.cpp: In function 'void ReadForces(char*, CONTROL&, std::unordered_map<std::basic_string<char>, InputKey*>&)':
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/Input/ReadForces.cpp:62:22: warning: comparison between signed and unsigned integer expressions [-Wsign-compare]
if(Forces.size() != 4 * lc.num_ions) {
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RmgLib/src/BaseThread.cpp: In constructor 'BaseThread::BaseThread(int)':
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RmgLib/src/BaseThread.cpp:62:9: warning: unused variable 'ncpus' [-Wunused-variable]
int ncpus;
^
[ 31%] Building CXX object Finite_diff/CMakeFiles/Finite_diff.dir/AppCilrDriver.cpp.o
[ 32%] Building CXX object US_PP/CMakeFiles/US_PP.dir/InitWeight.cpp.o
[ 32%] Building CXX object RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/FoldedSpectrumScalapack.cpp.o
[ 32%] Building CXX object Misc/CMakeFiles/Misc.dir/Fft_Cbindings.cpp.o
[ 32%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/ApplyHamiltonian.cpp.o
Linking CXX static library libInternalPseudo.a
[ 32%] Built target InternalPseudo
[ 32%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/ApplyHamiltonianBlock.cpp.o
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Building CXX object Misc/CMakeFiles/Misc.dir/GetVtotPsi.cpp.o
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Building CXX object RmgLib/CMakeFiles/RmgLib.dir/src/BaseGrid.cpp.o
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Subdiag/FoldedSpectrumScalapack.cpp: In instantiation of 'int FoldedSpectrumScalapack(Kpoint<StateType>*, int, KpointType*, KpointType*, int, KpointType*, int, double*, KpointType*, Scalapack*, int, int) [with KpointType = double]':
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Subdiag/FoldedSpectrumScalapack.cpp:73:150: required from here
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Subdiag/FoldedSpectrumScalapack.cpp:82:15: warning: unused variable 'RT1' [-Wunused-variable]
RmgTimer *RT1, *RT2;
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Subdiag/FoldedSpectrumScalapack.cpp:86:17: warning: unused variable 'NULLptr' [-Wunused-variable]
KpointType *NULLptr = NULL;
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Subdiag/FoldedSpectrumScalapack.cpp:88:11: warning: unused variable 'trans_t' [-Wunused-variable]
char *trans_t="t", *trans_n="n";
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Subdiag/FoldedSpectrumScalapack.cpp:88:25: warning: unused variable 'trans_n' [-Wunused-variable]
char *trans_t="t", *trans_n="n";
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Subdiag/FoldedSpectrumScalapack.cpp:91:17: warning: unused variable 'itype' [-Wunused-variable]
int ione=1, itype=1, info=0, izero=0;
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Subdiag/FoldedSpectrumScalapack.cpp:94:15: warning: unused variable 'Grid' [-Wunused-variable]
BaseGrid *Grid = kptr->G;
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Subdiag/FoldedSpectrumScalapack.cpp:95:14: warning: unused variable 'L' [-Wunused-variable]
Lattice *L = kptr->L;
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Subdiag/FoldedSpectrumScalapack.cpp:105:9: warning: unused variable 'FSp_my_col' [-Wunused-variable]
int FSp_my_col = FSp->GetCol();
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Subdiag/FoldedSpectrumScalapack.cpp:111:14: warning: unused variable 'scalapack_comm' [-Wunused-variable]
MPI_Comm scalapack_comm = FSp->GetComm();
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Subdiag/FoldedSpectrumScalapack.cpp:118:10: warning: unused variable 'm_f_desca' [-Wunused-variable]
int *m_f_desca = MainSp->GetDistDesca();
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Subdiag/FoldedSpectrumScalapack.cpp:147:9: warning: unused variable 's_s_dist_length' [-Wunused-variable]
int s_s_dist_length = FSp->ComputeDesca(n_win, n_win, s_s_desca);
^
[ 34%] Building CXX object RmgLib/CMakeFiles/RmgLib.dir/src/Mgrid.cpp.o
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[ 34%] Building C object Finite_diff/CMakeFiles/Finite_diff.dir/app_cir_beta_fourth.c.o
[ 34%] [ 34%] Building C object Finite_diff/CMakeFiles/Finite_diff.dir/app_cir_fcc.c.o
Building CXX object US_PP/CMakeFiles/US_PP.dir/InitWeightOne.cpp.o
[ 34%] Building CXX object US_PP/CMakeFiles/US_PP.dir/InitLocalForward.cpp.o
[ 34%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/MolecularDynamics.cpp.o
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[ 35%] Building C object Finite_diff/CMakeFiles/Finite_diff.dir/app_cir_bcc.c.o
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[ 37%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/GetAugRho.cpp.o
[ 37%] Building CXX object Finite_diff/CMakeFiles/Finite_diff.dir/FiniteDiff_Cbindings.cpp.o
[ 38%] Building CXX object Misc/CMakeFiles/Misc.dir/FftInitPlans.cpp.o
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/US_PP/InitWeightOne.cpp: In function 'void InitWeightOne(SPECIES*, double (*)[2], std::complex<double>*, int, int, int, fftw_plan, fftw_plan)':
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/US_PP/InitWeightOne.cpp:29:12: warning: unused variable 'r' [-Wunused-variable]
double r, ax[3], bx[3];
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/US_PP/InitWeightOne.cpp:29:22: warning: unused variable 'bx' [-Wunused-variable]
double r, ax[3], bx[3];
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/US_PP/InitWeightOne.cpp:38:12: warning: unused variable 'xside' [-Wunused-variable]
double xside = get_xside();
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/US_PP/InitWeightOne.cpp:39:12: warning: unused variable 'yside' [-Wunused-variable]
double yside = get_yside();
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/US_PP/InitWeightOne.cpp:40:12: warning: unused variable 'zside' [-Wunused-variable]
double zside = get_zside();
^
[ 38%] Building CXX object Misc/CMakeFiles/Misc.dir/FftFreqBin.cpp.o
[ 38%] Building CXX object Misc/CMakeFiles/Misc.dir/FftFilter.cpp.o
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Subdiag/FoldedSpectrumIterator.cpp: In function 'void FoldedSpectrumIterator(double*, int, double*, int, double*, double, int, int)':
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Subdiag/FoldedSpectrumIterator.cpp:59:9: warning: unused variable 'ione' [-Wunused-variable]
int ione = 1;
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Subdiag/FoldedSpectrumIterator.cpp:65:9: warning: unused variable 'sizr' [-Wunused-variable]
int sizr = n * k;
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Subdiag/FoldedSpectrumIterator.cpp:68:13: warning: unused variable 'Tgpu' [-Wunused-variable]
double *Tgpu = NULL;
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Subdiag/FoldedSpectrumIterator.cpp:69:13: warning: unused variable 'eigs_gpu' [-Wunused-variable]
double *eigs_gpu = NULL;
^
[ 40%] Building CXX object Misc/CMakeFiles/Misc.dir/FftLaplacian.cpp.o
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/u/system/bwjenkins/rmg-spp/rmg-release_2.1/US_PP/InitLocalBackward.cpp: In function 'void InitLocalBackward(double*, double*, double*)':
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/US_PP/InitLocalBackward.cpp:42:15: warning: variable 'Zv' set but not used [-Wunused-but-set-variable]
double r, Zv, rc, rc2, rcnorm, t1;
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/US_PP/InitLocalBackward.cpp:42:23: warning: variable 'rc2' set but not used [-Wunused-but-set-variable]
double r, Zv, rc, rc2, rcnorm, t1;
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/US_PP/InitLocalBackward.cpp:43:12: warning: unused variable 'x' [-Wunused-variable]
double x[3];
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/US_PP/InitLocalBackward.cpp:45:12: warning: variable 'xside' set but not used [-Wunused-but-set-variable]
double xside, yside, zside;
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/US_PP/InitLocalBackward.cpp:45:19: warning: variable 'yside' set but not used [-Wunused-but-set-variable]
double xside, yside, zside;
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/US_PP/InitLocalBackward.cpp:45:26: warning: variable 'zside' set but not used [-Wunused-but-set-variable]
double xside, yside, zside;
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/US_PP/InitLocalBackward.cpp:53:9: warning: unused variable 'npes' [-Wunused-variable]
int npes = get_PE_X() * get_PE_Y() * get_PE_Z();
^
[ 42%] Building CXX object Input/CMakeFiles/Input.dir/ReadKpointsBandstructure.cpp.o
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Building CXX object Input/CMakeFiles/Input.dir/InputKey.cpp.o
[ 43%] Building CXX object RmgLib/CMakeFiles/RmgLib.dir/src/app_cil_driver.cpp.o
In file included from /u/system/bwjenkins/rmg-spp/rmg-release_2.1/US_PP/InitLocalBackward.cpp:21:0:
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/Headers/AtomicInterpolate.h:42:5: warning: 'r' may be used uninitialized in this function [-Wmaybe-uninitialized]
if((r < LOGGRID_START)) {
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/US_PP/InitLocalBackward.cpp:42:12: note: 'r' was declared here
double r, Zv, rc, rc2, rcnorm, t1;
^
[ 43%] Building CXX object Input/CMakeFiles/Input.dir/CheckValue.cpp.o
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/u/system/bwjenkins/rmg-spp/rmg-release_2.1/Misc/Scalapack.cpp: In constructor 'Scalapack::Scalapack(int, int, int, int, int, int, MPI_Comm)':
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/Misc/Scalapack.cpp:115:9: warning: unused variable 'item' [-Wunused-variable]
int item = thisimg % images_per_node;
^
[ 46%] Building CXX object RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/FoldedSpectrumGSE.cpp.o
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Linking CXX static library libFinite_diff.a
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/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Subdiag/FoldedSpectrumGSE.cpp: In instantiation of 'void FoldedSpectrumGSE(DataType*, DataType*, DataType*, int, int, int, int*, int*, int, int, MPI_Comm&) [with DataType = double; MPI_Comm = int]':
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Subdiag/FoldedSpectrumGSE.cpp:61:121: required from here
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Subdiag/FoldedSpectrumGSE.cpp:77:11: warning: unused variable 'trans_t' [-Wunused-variable]
char *trans_t = "t";
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Subdiag/FoldedSpectrumGSE.cpp:78:10: warning: unused variable 'usecuxt' [-Wunused-variable]
bool usecuxt = true;
^
[ 49%] Building CXX object US_PP/CMakeFiles/US_PP.dir/FindPhase.cpp.o
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/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RmgLib/src/RmgPrintTimings.cpp: In function 'void RmgPrintTimings(MPI_Comm, const char*, int, int)':
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RmgLib/src/RmgPrintTimings.cpp:21:12: warning: unused variable 'time1' [-Wunused-variable]
double time1, time2;
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RmgLib/src/RmgPrintTimings.cpp:21:19: warning: unused variable 'time2' [-Wunused-variable]
double time1, time2;
^
[ 50%] Building CXX object US_PP/CMakeFiles/US_PP.dir/Atomic_Cbindings.cpp.o
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/Misc/open_restart_file.c: In function 'open_restart_file':
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/Misc/open_restart_file.c:67:5: warning: suggest explicit braces to avoid ambiguous 'else' [-Wparentheses]
if (!mkdir (dirname (tmpname), S_IRWXU))
^
[ 51%] Building C object Misc/CMakeFiles/Misc.dir/open_restart_file.c.o
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/u/system/bwjenkins/rmg-spp/rmg-release_2.1/Input/RmgInputFile.cpp: In member function 'void RmgInputFile::PreprocessInputFile(char*, MPI_Comm)':
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/Input/RmgInputFile.cpp:335:42: warning: 'input_buffer' may be used uninitialized in this function [-Wmaybe-uninitialized]
std::string input_string(input_buffer);
^
[ 54%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/LcaoGetPsi.cpp.o
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/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Subdiag/FoldedSpectrumScalapackGSE.cpp: In instantiation of 'void FoldedSpectrumScalapackGSE(DataType*, DataType*, DataType*, int, int, int, int*, int*, int, Scalapack*) [with DataType = double]':
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Subdiag/FoldedSpectrumScalapackGSE.cpp:62:132: required from here
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Subdiag/FoldedSpectrumScalapackGSE.cpp:81:11: warning: unused variable 'trans_t' [-Wunused-variable]
char *trans_t = "t";
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Subdiag/FoldedSpectrumScalapackGSE.cpp:85:9: warning: unused variable 'THIS_PE' [-Wunused-variable]
int THIS_PE = FSp->GetGroupIndex();
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Subdiag/FoldedSpectrumScalapackGSE.cpp:86:9: warning: unused variable 'my_root_index' [-Wunused-variable]
int my_root_index = MainSp->GetCommRank();
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Subdiag/FoldedSpectrumScalapackGSE.cpp:89:10: warning: unused variable 'm_f_desca' [-Wunused-variable]
int *m_f_desca = MainSp->GetDistDesca();
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Subdiag/FoldedSpectrumScalapackGSE.cpp:90:9: warning: unused variable 'm_f_dist_length' [-Wunused-variable]
int m_f_dist_length = MainSp->ComputeMdim(n) * MainSp->ComputeNdim(n);
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Subdiag/FoldedSpectrumScalapackGSE.cpp:96:9: warning: unused variable 's_f_dist_length' [-Wunused-variable]
int s_f_dist_length = FSp->ComputeDesca(n, n, s_f_desca);
^
[ 55%] Building CXX object Input/CMakeFiles/Input.dir/ReadCommon.cpp.o
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/u/system/bwjenkins/rmg-spp/rmg-release_2.1/US_PP/Atomic.cpp: In member function 'void Atomic::InitBessel(double*, int, int, double*)':
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/US_PP/Atomic.cpp:592:9: warning: unused variable 'istep' [-Wunused-variable]
int istep;
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/US_PP/Atomic.cpp:594:9: warning: unused variable 'npes' [-Wunused-variable]
int npes = Rmg_G->get_PE_X() * Rmg_G->get_PE_Y() * Rmg_G->get_PE_Z();
^
[ 55%] Building CXX object RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/FoldedSpectrumOrtho.cpp.o
[ 55%] Building CXX object RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/FoldedSpectrumScalapackOrtho.cpp.o
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/Misc/Output_rho_xsf.cpp: In function 'void Output_rho_xsf(double*, MPI_Comm)':
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/Misc/Output_rho_xsf.cpp:193:43: warning: narrowing conversion of 'sizes[0]' from 'int' to 'const unsigned int' inside { } [-Wnarrowing]
const unsigned int shape1[] = {sizes[0], sizes[1], sizes[2]};
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/Misc/Output_rho_xsf.cpp:193:53: warning: narrowing conversion of 'sizes[1]' from 'int' to 'const unsigned int' inside { } [-Wnarrowing]
const unsigned int shape1[] = {sizes[0], sizes[1], sizes[2]};
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/Misc/Output_rho_xsf.cpp:193:63: warning: narrowing conversion of 'sizes[2]' from 'int' to 'const unsigned int' inside { } [-Wnarrowing]
const unsigned int shape1[] = {sizes[0], sizes[1], sizes[2]};
^
In file included from /u/system/bwjenkins/rmg-spp/rmg-release_2.1/Misc/Output_rho_xsf.cpp:10:0:
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/Headers/cnpy.h: In instantiation of 'void cnpy::npz_save(std::string, std::string, const T*, const unsigned int*, unsigned int, std::string) [with T = double; std::string = std::basic_string<char>]':
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/Misc/Output_rho_xsf.cpp:176:56: required from here
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/Headers/cnpy.h:151:24: warning: comparison between signed and unsigned integer expressions [-Wsign-compare]
for (int m=0; m<ndims; m++ ) nels *= shape[m];
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/Headers/cnpy.h: In instantiation of 'std::vector<char> cnpy::create_npy_header(const T*, const unsigned int*, unsigned int) [with T = double]':
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/Headers/cnpy.h:148:74: required from 'void cnpy::npz_save(std::string, std::string, const T*, const unsigned int*, unsigned int, std::string) [with T = double; std::string = std::basic_string<char>]'
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/Misc/Output_rho_xsf.cpp:176:56: required from here
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/Headers/cnpy.h:216:25: warning: comparison between signed and unsigned integer expressions [-Wsign-compare]
for(int i = 1;i < ndims;i++) {
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/Headers/cnpy.h: In instantiation of 'std::vector<char>& cnpy::operator+=(std::vector<char>&, T) [with T = short unsigned int]':
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/Headers/cnpy.h:161:22: required from 'void cnpy::npz_save(std::string, std::string, const T*, const unsigned int*, unsigned int, std::string) [with T = double; std::string = std::basic_string<char>]'
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/Misc/Output_rho_xsf.cpp:176:56: required from here
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/Headers/cnpy.h:49:33: warning: comparison between signed and unsigned integer expressions [-Wsign-compare]
for(char byte = 0; byte < sizeof(T); byte++) {
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/Headers/cnpy.h: In instantiation of 'std::vector<char>& cnpy::operator+=(std::vector<char>&, T) [with T = unsigned int]':
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/Headers/cnpy.h:167:22: required from 'void cnpy::npz_save(std::string, std::string, const T*, const unsigned int*, unsigned int, std::string) [with T = double; std::string = std::basic_string<char>]'
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/Misc/Output_rho_xsf.cpp:176:56: required from here
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/Headers/cnpy.h:49:33: warning: comparison between signed and unsigned integer expressions [-Wsign-compare]
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/Headers/cnpy.h: In instantiation of 'std::vector<char>& cnpy::operator+=(std::vector<char>&, T) [with T = char]':
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/Headers/cnpy.h:211:14: required from 'std::vector<char> cnpy::create_npy_header(const T*, const unsigned int*, unsigned int) [with T = double]'
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/Headers/cnpy.h:148:74: required from 'void cnpy::npz_save(std::string, std::string, const T*, const unsigned int*, unsigned int, std::string) [with T = double; std::string = std::basic_string<char>]'
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/Misc/Output_rho_xsf.cpp:176:56: required from here
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/Headers/cnpy.h:49:33: warning: comparison between signed and unsigned integer expressions [-Wsign-compare]
[ 56%] [ 56%] Building CXX object RmgLib/CMakeFiles/RmgLib.dir/src/get_vh.cpp.o
Building CXX object Misc/CMakeFiles/Misc.dir/Fill.cpp.o
[ 56%] Building CXX object Misc/CMakeFiles/Misc.dir/GetTe.cpp.o
[ 56%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/ReadData.cpp.o
[ 56%] Building CXX object US_PP/CMakeFiles/US_PP.dir/InitPseudo.cpp.o
[ 56%] Building CXX object US_PP/CMakeFiles/US_PP.dir/InitQfunct.cpp.o
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Subdiag/FoldedSpectrumOrtho.cpp: In instantiation of 'void FoldedSpectrumOrtho(int, int, int, int*, int*, KpointType*, KpointType*, int, MPI_Comm&) [with KpointType = double; MPI_Comm = int]':
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Subdiag/FoldedSpectrumOrtho.cpp:57:108: required from here
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Subdiag/FoldedSpectrumOrtho.cpp:64:12: warning: unused variable 'rzero' [-Wunused-variable]
double rzero = 0.0;
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Subdiag/FoldedSpectrumOrtho.cpp:65:12: warning: unused variable 'rone' [-Wunused-variable]
double rone = 1.0;
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Subdiag/FoldedSpectrumOrtho.cpp:82:53: warning: unused variable 'side' [-Wunused-variable]
char *trans_t="t", *trans_n="n", *cuplo = "l", *side = "l";
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Subdiag/FoldedSpectrumOrtho.cpp:140:14: warning: variable 'omp_tid' set but not used [-Wunused-but-set-variable]
int idx, omp_tid;
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Subdiag/FoldedSpectrumOrtho.cpp:142:13: warning: variable 'st1' set but not used [-Wunused-but-set-variable]
int st, st1;
^
[ 57%] Building CXX object US_PP/CMakeFiles/US_PP.dir/US_Cbindings.cpp.o
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Subdiag/FoldedSpectrumScalapackOrtho.cpp: In instantiation of 'void FoldedSpectrumScalapackOrtho(int, int, int, int*, int*, KpointType*, KpointType*, KpointType*, KpointType*, KpointType*, Scalapack*) [with KpointType = double]':
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Subdiag/FoldedSpectrumScalapackOrtho.cpp:57:143: required from here
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Subdiag/FoldedSpectrumScalapackOrtho.cpp:65:17: warning: unused variable 'NULLptr' [-Wunused-variable]
KpointType *NULLptr = NULL;
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Subdiag/FoldedSpectrumScalapackOrtho.cpp:86:53: warning: unused variable 'side' [-Wunused-variable]
char *trans_t="t", *trans_n="n", *cuplo = "l", *side = "l";
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Subdiag/FoldedSpectrumScalapackOrtho.cpp:102:9: warning: unused variable 'FSp_nodes' [-Wunused-variable]
int FSp_nodes = FSp_rows * FSp_cols;
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Subdiag/FoldedSpectrumScalapackOrtho.cpp:103:9: warning: unused variable 'FSp_context' [-Wunused-variable]
int FSp_context = FSp->GetContext();
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Subdiag/FoldedSpectrumScalapackOrtho.cpp:104:9: warning: unused variable 'FSp_my_index' [-Wunused-variable]
int FSp_my_index = FSp_my_row*FSp_cols + FSp_my_col;
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Subdiag/FoldedSpectrumScalapackOrtho.cpp:166:14: warning: variable 'omp_tid' set but not used [-Wunused-but-set-variable]
int idx, omp_tid;
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Subdiag/FoldedSpectrumScalapackOrtho.cpp:168:13: warning: variable 'st1' set but not used [-Wunused-but-set-variable]
int st, st1;
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/Misc/init_kpoints.c: In function 'init_kpoints':
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/Misc/init_kpoints.c:97:31: warning: passing argument 6 of 'spg_get_ir_reciprocal_mesh' from incompatible pointer type
is_time_reversal, lattice, tau, ityp, ct.num_ions, symprec);
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/Misc/init_kpoints.c:41:5: note: expected 'const double (*)[3]' but argument is of type 'double (*)[3]'
int spg_get_ir_reciprocal_mesh(int *grid_address,
^
[ 57%] Building C object Misc/CMakeFiles/Misc.dir/init_kpoints.c.o
[ 57%] Building C object US_PP/CMakeFiles/US_PP.dir/lcao_get_rho.c.o
[ 58%] Building CXX object Misc/CMakeFiles/Misc.dir/RmgCudaError.cpp.o
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/Misc/Fill.cpp: In instantiation of 'double Fill(Kpoint<StateType>**, double, double, double, int, int) [with KpointType = double]':
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/Misc/Fill.cpp:65:74: required from here
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/Misc/Fill.cpp:76:24: warning: unused variable 'kpt' [-Wunused-variable]
int iter, st, st1, kpt, idx, nks, nspin = (ct.spin_flag + 1);
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/Misc/Fill.cpp:78:40: warning: unused variable 'eig' [-Wunused-variable]
double mu, dmu, mu1, mu2, f, fmid, eig;
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/Misc/Fill.cpp: In instantiation of 'double Fill(Kpoint<StateType>**, double, double, double, int, int) [with KpointType = std::complex<double>]':
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/Misc/Fill.cpp:66:89: required from here
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/Misc/Fill.cpp:76:24: warning: unused variable 'kpt' [-Wunused-variable]
int iter, st, st1, kpt, idx, nks, nspin = (ct.spin_flag + 1);
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/Misc/Fill.cpp:78:40: warning: unused variable 'eig' [-Wunused-variable]
double mu, dmu, mu1, mu2, f, fmid, eig;
^
[ 58%] Building C object US_PP/CMakeFiles/US_PP.dir/init_nuc.c.o
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Building CXX object RmgLib/CMakeFiles/RmgLib.dir/src/packfuncs.cpp.o
Building C object US_PP/CMakeFiles/US_PP.dir/weight_shift_center.c.o
[ 64%] Building CXX object Input/CMakeFiles/Input.dir/ReadPseudo.cpp.o
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/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Common/OutputBandPlot.cpp: In instantiation of 'void OutputBandPlot(Kpoint<StateType>**) [with KpointType = double]':
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Common/OutputBandPlot.cpp:51:47: required from here
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Common/OutputBandPlot.cpp:142:19: warning: unused variable 'line_object' [-Wunused-variable]
char *line_object;
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Common/OutputBandPlot.cpp:59:30: warning: unused variable 'pngfile' [-Wunused-variable]
char filename[MAX_PATH], pngfile[MAX_PATH];
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Common/OutputBandPlot.cpp: In instantiation of 'void OutputBandPlot(Kpoint<StateType>**) [with KpointType = std::complex<double>]':
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Common/OutputBandPlot.cpp:52:62: required from here
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Common/OutputBandPlot.cpp:142:19: warning: unused variable 'line_object' [-Wunused-variable]
char *line_object;
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Common/OutputBandPlot.cpp:59:30: warning: unused variable 'pngfile' [-Wunused-variable]
char filename[MAX_PATH], pngfile[MAX_PATH];
^
[ 65%] Linking CXX static library libRmgLib.a
Building C object US_PP/CMakeFiles/US_PP.dir/get_QnmL.c.o
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/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Common/GetWeight.cpp: In instantiation of 'void GetWeight(Kpoint<StateType>**) [with KpointType = double]':
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Common/GetWeight.cpp:38:55: required from here
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Common/GetWeight.cpp:105:17: warning: unused variable 'size' [-Wunused-variable]
int size = nlxdim * nlydim * nlzdim;
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Common/GetWeight.cpp: In instantiation of 'void GetWeight(Kpoint<StateType>**) [with KpointType = std::complex<double>]':
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Common/GetWeight.cpp:39:83: required from here
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Common/GetWeight.cpp:105:17: warning: unused variable 'size' [-Wunused-variable]
[ 67%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/GetNlop.cpp.o
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/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Common/GetNlop.cpp: In instantiation of 'void GetNlop(Kpoint<StateType>**) [with KpointType = double]':
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Common/GetNlop.cpp:41:49: required from here
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Common/GetNlop.cpp:49:21: warning: variable 'prj_per_ion' set but not used [-Wunused-but-set-variable]
int ix, iy, iz, prj_per_ion;
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Common/GetNlop.cpp: In instantiation of 'void GetNlop(Kpoint<StateType>**) [with KpointType = std::complex<double>]':
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Common/GetNlop.cpp:42:78: required from here
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Common/GetNlop.cpp:49:21: warning: variable 'prj_per_ion' set but not used [-Wunused-but-set-variable]
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/US_PP/pack_gftoc.c: In function 'pack_gftoc':
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/US_PP/pack_gftoc.c:24:9: warning: variable 'ixstart' set but not used [-Wunused-but-set-variable]
int ixstart = -(nlxdim )/2;
^
[ 70%] Building CXX object Misc/CMakeFiles/Misc.dir/TradeImages_Cbindings.cpp.o
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/u/system/bwjenkins/rmg-spp/rmg-release_2.1/Misc/get_te.c: In function 'get_te':
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/Misc/get_te.c:75:26: warning: 'nrho_oppo' may be used uninitialized in this function [-Wmaybe-uninitialized]
double *exc, *nrho, *nrho_oppo;
^
[ 78%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/genvpsi.cpp.o
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/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Common/scalapack_tools.c:511:56: warning: unused variable 'idx' [-Wunused-variable]
int i, j, ii, jj, iii, jjj, li, lj, maxrow, maxcol,idx;
^
[ 80%] Building C object Misc/CMakeFiles/Misc.dir/blaswrappers.c.o
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[ 81%] Building C object RMG/Common/CMakeFiles/RMG_Common.dir/lbfgs_init.c.o
[ 81%] Building C object Misc/CMakeFiles/Misc.dir/set_bc.c.o
[ 81%] [ 81%] Building C object Misc/CMakeFiles/Misc.dir/cgen_prolong.c.o
Building C object Misc/CMakeFiles/Misc.dir/mg_restrict_6.c.o
[ 82%] Building C object RMG/Common/CMakeFiles/RMG_Common.dir/pack_rho_ctof.c.o
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Common/Relax.cpp: In function 'void Relax(int, double*, double*, double*, double*, double*, double*, double*, Kpoint<StateType>**) [with OrbitalType = double]':
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Common/Relax.cpp:146:9: warning: 'CONV_FORCE' may be used uninitialized in this function [-Wmaybe-uninitialized]
if (CONV_FORCE)
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Common/Relax.cpp: In function 'void Relax(int, double*, double*, double*, double*, double*, double*, double*, Kpoint<StateType>**) [with OrbitalType = std::complex<double>]':
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Common/Relax.cpp:146:9: warning: 'CONV_FORCE' may be used uninitialized in this function [-Wmaybe-uninitialized]
[ 82%] Building C object RMG/Common/CMakeFiles/RMG_Common.dir/write_force.c.o
[ 82%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/Nlforce.cpp.o
[ 83%] Building C object Misc/CMakeFiles/Misc.dir/mg_prolong_MAX10.c.o
[ 83%] Building C object Misc/CMakeFiles/Misc.dir/ATL_assert.c.o
[ 83%] Building C object Misc/CMakeFiles/Misc.dir/init_pos.c.o
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/Misc/rmg_alloc.c: In function 'rmg_malloc':
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/Misc/rmg_alloc.c:16:12: warning: format '%d' expects argument of type 'int', but argument 3 has type 'size_t' [-Wformat=]
printf("\n memory size required %d x %d", n, size);
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/Misc/rmg_alloc.c: In function 'rmg_malloc_init':
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/Misc/rmg_alloc.c:26:13: warning: format '%d' expects argument of type 'int', but argument 3 has type 'size_t' [-Wformat=]
printf("\n memory size required %d x %d", n, size);
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/Misc/rmg_alloc.c: In function 'rmg_calloc':
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/Misc/rmg_alloc.c:37:13: warning: format '%d' expects argument of type 'int', but argument 3 has type 'size_t' [-Wformat=]
printf("\n memory size required %d x %d", n, size);
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/Misc/rmg_alloc.c: In function 'rmg_alloc_initialize':
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/Misc/rmg_alloc.c:101:9: warning: format '%s' expects argument of type 'char *', but argument 2 has type 'void *' [-Wformat=]
printf ("!!!! warning: requested initialization of data pointed to by '%s' not done.\n", ptr);
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Common/nlforce_par_gamma.c: In function 'nlforce_par_gamma':
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Common/nlforce_par_gamma.c:31:32: warning: unused variable 'three' [-Wunused-variable]
int idx, idx1, size, n, m, three = 3;
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Common/getpoi_bc.c: In function 'getpoi_bc':
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Common/getpoi_bc.c:44:12: warning: variable 'r' set but not used [-Wunused-but-set-variable]
double r, xc, yc, zc, x, y, z;
^
[ 84%] Building C object Misc/CMakeFiles/Misc.dir/rmg_alloc.c.o
[ 85%] Building C object RMG/Common/CMakeFiles/RMG_Common.dir/nlforce_par_gamma.c.o
[ 85%] [ 85%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/app_smooth1.cpp.o
Building C object RMG/Common/CMakeFiles/RMG_Common.dir/getpoi_bc.c.o
[ 85%] Building C object Misc/CMakeFiles/Misc.dir/rmg_error.c.o
[ 85%] Building C object RMG/Common/CMakeFiles/RMG_Common.dir/rand0.c.o
[ 85%] Building C object Misc/CMakeFiles/Misc.dir/ions.c.o
[ 87%] Building C object Misc/CMakeFiles/Misc.dir/sl_init_comm.c.o
[ 87%] Building C object Misc/CMakeFiles/Misc.dir/get_opposite_occupancies.c.o
[ 87%] Building C object RMG/Common/CMakeFiles/RMG_Common.dir/output_wave.c.o
[ 87%] Building C object RMG/Common/CMakeFiles/RMG_Common.dir/get_extrapolation_constants.c.o
[ 87%] Building C object RMG/Common/CMakeFiles/RMG_Common.dir/write_header.c.o
[ 87%] Building C object Misc/CMakeFiles/Misc.dir/get_opposite_eigvals.c.o
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/Misc/remap_3d.c: In function 'remap_3d_create_plan':
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/Misc/remap_3d.c:150:12: warning: unused variable 'newcomm' [-Wunused-variable]
MPI_Comm newcomm;
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Common/bsplines.c: In function 'dbsint':
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Common/bsplines.c:239:16: warning: variable 'ilp1mx' set but not used [-Wunused-but-set-variable]
int leftx, ilp1mx;
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Common/bsplines.c: In function 'spli2d':
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Common/bsplines.c:962:55: warning: variable 'ilp1mx' set but not used [-Wunused-but-set-variable]
int i, j, jj, km1, np1, left, lenq, kpkm2, iflag, ilp1mx;
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Common/bsplines.c: In function 'spli3d':
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Common/bsplines.c:1357:59: warning: variable 'ilp1mx' set but not used [-Wunused-but-set-variable]
int i, j, jj, in, km1, np1, left, lenq, kpkm2, iflag, ilp1mx;
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Common/bsplines.c: At top level:
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Common/bsplines.c:1495:15: warning: 'dbs3vl' defined but not used [-Wunused-function]
static double dbs3vl (double x, double y, double z__, int kx,
^
[ 88%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/BandStructure.cpp.o
[ 88%] Building C object Misc/CMakeFiles/Misc.dir/fill_on.c.o
[ 89%] Building C object Misc/CMakeFiles/Misc.dir/pack_3d.c.o
[ 89%] Building C object Misc/CMakeFiles/Misc.dir/remap_3d.c.o
[ 89%] Building C object RMG/Common/CMakeFiles/RMG_Common.dir/wvfn_residual.c.o
[ 89%] Building C object Misc/CMakeFiles/Misc.dir/factor.c.o
[ 90%] Building C object Misc/CMakeFiles/Misc.dir/get_tf_rho.c.o
[ 90%] Building C object RMG/Common/CMakeFiles/RMG_Common.dir/write_avgd.c.o
[ 90%] [ 91%] Building C object RMG/Common/CMakeFiles/RMG_Common.dir/bsplines.c.o
Building C object RMG/Common/CMakeFiles/RMG_Common.dir/claim_ion.c.o
[ 91%] Building C object RMG/Common/CMakeFiles/RMG_Common.dir/debug_write_rho_z.c.o
[ 91%] Building C object RMG/Common/CMakeFiles/RMG_Common.dir/write_pdb.c.o
Linking CXX static library libMisc.a
[ 92%] [ 92%] Building C object RMG/Common/CMakeFiles/RMG_Common.dir/nlforce_par_omega.c.o
Building C object RMG/Common/CMakeFiles/RMG_Common.dir/real_min_all.c.o
[ 92%] [ 92%] Building C object RMG/Common/CMakeFiles/RMG_Common.dir/neb_relax.c.o
Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/app_smooth.cpp.o
[ 93%] Building C object RMG/Common/CMakeFiles/RMG_Common.dir/xbsmovie.c.o
[ 93%] Building C object RMG/Common/CMakeFiles/RMG_Common.dir/init_gpu.c.o
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Common/nlforce_par_Q.c: In function 'nlforce_par_Q':
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Common/nlforce_par_Q.c:35:12: warning: unused variable 'tmp' [-Wunused-variable]
double tmp;
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Common/nlforce_par_Q.c:33:9: warning: unused variable 'idx1' [-Wunused-variable]
int idx1, idx2, n, m, count, icount, size;
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Common/print_density_z_direction.c: In function 'print_density_z_direction':
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Common/print_density_z_direction.c:48:69: warning: variable 'max_grid_z' set but not used [-Wunused-but-set-variable]
int min_grid_x, min_grid_y, min_grid_z, max_grid_x, max_grid_y, max_grid_z;
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Common/print_density_z_direction.c:47:33: warning: variable 'zgrid' set but not used [-Wunused-but-set-variable]
int p0_basis, xgrid, ygrid, zgrid;
^
[ 93%] Building C object RMG/Common/CMakeFiles/RMG_Common.dir/write_zstates.c.o
[ 94%] Building C object RMG/Common/CMakeFiles/RMG_Common.dir/symmetry.c.o
[ 94%] Building C object RMG/Common/CMakeFiles/RMG_Common.dir/lbfgs.c.o
[ 94%] Building C object RMG/Common/CMakeFiles/RMG_Common.dir/nlforce_par_Q.c.o
[ 94%] Built target Misc
[ 95%] Building C object RMG/Common/CMakeFiles/RMG_Common.dir/rmg_lbfgs.c.o
[ 95%] Building C object RMG/Common/CMakeFiles/RMG_Common.dir/test_overlap.c.o
[ 95%] Building C object RMG/Common/CMakeFiles/RMG_Common.dir/write_avgv.c.o
[ 95%] [ 96%] Building C object RMG/Common/CMakeFiles/RMG_Common.dir/move_ions.c.o
Building C object RMG/Common/CMakeFiles/RMG_Common.dir/ranv.c.o
[ 96%] Building C object RMG/Common/CMakeFiles/RMG_Common.dir/print_density_z_direction.c.o
[ 96%] Building C object RMG/Common/CMakeFiles/RMG_Common.dir/set_pbc.c.o
[ 97%] [ 97%] Building C object RMG/Common/CMakeFiles/RMG_Common.dir/pulay_rho.c.o
Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/PartialGamma.cpp.o
[ 97%] Building C object RMG/Common/CMakeFiles/RMG_Common.dir/fire.c.o
[ 97%] Building C object RMG/Common/CMakeFiles/RMG_Common.dir/mg_prolong_6.c.o
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Common/pulay_rho.c: In function 'pulay_rho':
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Common/pulay_rho.c:68:12: warning: unused variable 'work' [-Wunused-variable]
double work[MAX_STEPS*20];
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Common/pulay_rho.c:67:9: warning: unused variable 'lwork' [-Wunused-variable]
int lwork = MAX_STEPS*20;
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Common/fire.c: In function 'fire':
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Common/fire.c:136:2: warning: value computed is not used [-Wunused-value]
*n_count ++;
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Common/pulay_rho.c:151:4: warning: 'trade_space' may be used uninitialized in this function [-Wmaybe-uninitialized]
special_dot_product(fi, fj, trade_space, weight, N_x, N_y, N_z);
^
[ 98%] [ 98%] Building C object RMG/Common/CMakeFiles/RMG_Common.dir/partial_beta_fdiff.c.o
Building C object RMG/Common/CMakeFiles/RMG_Common.dir/get_dipole.c.o
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Common/BandStructure.cpp: In instantiation of 'void BandStructure(Kpoint<StateType>**, double*, double*, double*) [with KpointType = double]':
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Common/BandStructure.cpp:50:85: required from here
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Common/BandStructure.cpp:61:14: warning: unused variable 'istop' [-Wunused-variable]
int idx, istop, st1, ist;
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Common/BandStructure.cpp:61:21: warning: unused variable 'st1' [-Wunused-variable]
int idx, istop, st1, ist;
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Common/BandStructure.cpp:61:26: warning: unused variable 'ist' [-Wunused-variable]
int idx, istop, st1, ist;
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Common/BandStructure.cpp: In instantiation of 'void BandStructure(Kpoint<StateType>**, double*, double*, double*) [with KpointType = std::complex<double>]':
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Common/BandStructure.cpp:51:100: required from here
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Common/BandStructure.cpp:61:14: warning: unused variable 'istop' [-Wunused-variable]
int idx, istop, st1, ist;
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Common/BandStructure.cpp:61:21: warning: unused variable 'st1' [-Wunused-variable]
int idx, istop, st1, ist;
^
/u/system/bwjenkins/rmg-spp/rmg-release_2.1/RMG/Common/BandStructure.cpp:61:26: warning: unused variable 'ist' [-Wunused-variable]
int idx, istop, st1, ist;
^
Linking CXX static library libRMG_Common.a
[ 98%] Built target RMG_Common
Scanning dependencies of target rmg-cpu
[100%] Building CXX object CMakeFiles/rmg-cpu.dir/RMG/Common/Main.cpp.o
Linking CXX executable rmg-cpu
rm -rf /u/system/bwjenkins/scratch/rmg-spp
mkdir -p /u/system/bwjenkins/scratch/rmg-spp
#cp /projects/bluewaters/benchmarking/SPP/rmg/test-0100-cpu/run.pbs /u/system/bwjenkins/scratch/rmg-spp/run.pbs
#cp /projects/bluewaters/benchmarking/SPP/rmg/test-0100-cpu/302waters.rmg_cpu /u/system/bwjenkins/scratch/rmg-spp/
cp /projects/bluewaters/benchmarking/SPP/rmg/small/* /u/system/bwjenkins/scratch/rmg-spp/
cd /u/system/bwjenkins/scratch/rmg-spp
cp /u/system/bwjenkins/rmg-spp/rmg-release_2.1/build-cpu/rmg-cpu ./
cat run.pbs | sed -e "s/aprun/time aprun/g" > myrunA.pbs
cat myrunA.pbs | sed -e "s/OMP_NUM_THREADS=1/OM_NUM_THREADS=1\nexport LD_LIBRARY_PATH=\$LD_LIBRARY_PATH:\$HOME\/rmg-spp\/openbabel-2.3.2\/install\/lib/g" > myrun.pbs
cat -n myrun.pbs
MYJOBID=`qsub myrun.pbs`
qsub myrun.pbs
[100%] Built target rmg-cpu
1 #!/bin/bash
2 #PBS -N zsmall
3 #PBS -j oe
4 #PBS -l walltime=2:00:00
5 #PBS -l nodes=20:ppn=32:xe
6
7 source /opt/modules/default/init/bash
8 module swap PrgEnv-cray PrgEnv-gnu
9 module load boost
10 module unload darshan
11 module list
12
13 cd $PBS_O_WORKDIR
14
15 export MPICH_MAX_THREAD_SAFETY=serialized
16 export OMP_WAIT_POLICY=passive
17 export MPICH_ENV_DISPLAY=1
18 ulimit -a
19 export MPICH_GNI_MBOX_PLACEMENT=nic
20 export MPICH_GNI_RDMA_THRESHOLD=1024
21 export MPICH_GNI_NUM_BUFS=512
22 export MPICH_GNI_MAX_EAGER_MSG_SIZE=65536
23
24 export OM_NUM_THREADS=1
25 export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:$HOME/rmg-spp/openbabel-2.3.2/install/lib
26 time aprun -n 640 -N 32 rmg-cpu 302waters.rmg_cpu
27
Job submitted to account: jnc
echo MYJOBID=$MYJOBID
~arnoldg/ior/wait_for.sh $MYJOBID
MYJOBID=6157785.bw
=== RUNNING /u/staff/arnoldg/ior/wait_for.sh ===
Wed Feb 15 15:41:03 CST 2017: waiting for 6157785.bw to finish
Build was aborted
Aborted by arnoldg
Recording plot data
Saving plot series data from: /var/lib/jenkins/workspace/rmg-spp-newpe/rmg.realtime
Finished: ABORTED
![[Jenkins]](/static/755cd4af/images/svgs/logo.svg){kind=logo}
