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${MODULESHOME}/bin/modulecmd bash $*
CRAY_FFTW_VERSION=3.3.4.7 ;export CRAY_FFTW_VERSION;CRAY_LD_LIBRARY_PATH=/opt/cray/fftw/3.3.4.7/interlagos/lib:/opt/cray/rca/1.0.0-2.0502.60530.1.63.gem/lib64:/opt/cray/alps/5.2.4-2.0502.9774.31.12.gem/lib64:/opt/cray/xpmem/0.1-2.0502.64982.5.3.gem/lib64:/opt/cray/dmapp/7.0.1-1.0502.11080.8.74.gem/lib64:/opt/cray/pmi/5.0.10-1.0000.11050.179.3.gem/lib64:/opt/cray/ugni/6.0-1.0502.10863.8.28.gem/lib64:/opt/cray/udreg/2.3.2-1.0502.10518.2.17.gem/lib64:/opt/cray/libsci/16.03.1/GNU/4.9/x86_64/lib:/opt/cray/mpt/7.5.0/gni/mpich-gnu/4.9/lib ;export CRAY_LD_LIBRARY_PATH;FFTW_DIR=/opt/cray/fftw/3.3.4.7/interlagos/lib ;export FFTW_DIR;FFTW_INC=/opt/cray/fftw/3.3.4.7/interlagos/include ;export FFTW_INC;FFTW_VERSION=3.3.4.7 ;export FFTW_VERSION;LOADEDMODULES=modules/3.2.10.4:eswrap/1.3.3-1.020200.1278.0:gcc/4.9.3:craype-network-gemini:craype-interlagos:craype/2.5.4:torque/6.0.1:moab/9.0.2.TAS2-1477409647_6706986-sles11:java/jdk1.8.0_51:globus/5.2.5:gsissh/6.2p2:scripts:user-paths:cray-mpich/7.5.0:cray-libsci/16.03.1:udreg/2.3.2-1.0502.10518.2.17.gem:ugni/6.0-1.0502.10863.8.28.gem:pmi/5.0.10-1.0000.11050.179.3.gem:dmapp/7.0.1-1.0502.11080.8.74.gem:gni-headers/4.0-1.0502.10859.7.8.gem:xpmem/0.1-2.0502.64982.5.3.gem:dvs/2.5_0.9.0-1.0502.2188.1.113.gem:alps/5.2.4-2.0502.9774.31.12.gem:rca/1.0.0-2.0502.60530.1.63.gem:atp/2.0.1:PrgEnv-gnu/5.2.82:boost/1.53.0:cmake/3.1.3:fftw/3.3.4.7 ;export LOADEDMODULES;MANPATH=/opt/cray/fftw/3.3.4.7/share/man:/opt/cray/atp/2.0.1/man:/opt/cray/alps/5.2.4-2.0502.9774.31.12.gem/man:/opt/cray/libsci/16.03.1/man:/opt/cray/man/csmlversion:/opt/gcc/4.9.3/snos/share/man:/opt/cray/mpt/7.5.0/gni/man/mpich:/opt/cray/craype/2.5.4/man:/sw/user/man:/opt/java/jdk1.8.0_51/man:/usr/local/globus-5.2.5/man:/opt/moab/9.0.2t2/share/man/:/opt/torque/6.0.1-end/share/man:/opt/cray/eslogin/eswrap/1.3.3-1.020200.1278.0/man:/opt/modules/3.2.10.4/share/man:/opt/moab/9.0.2t2/share/man::ignore:/usr/local/man:/usr/share/man:/usr/man:/opt/cray/share/man:/cm/local/apps/environment-modules/3.2.6/man:/opt/cray/man:/u/system/bwjenkins/man ;export MANPATH;PATH=/opt/cray/fftw/3.3.4.7/interlagos/bin:/sw/xe/cmake/3.1.3/sles11.3_gnu4.3.4/bin:/opt/cray/rca/1.0.0-2.0502.60530.1.63.gem/bin:/opt/cray/alps/5.2.4-2.0502.9774.31.12.gem/sbin:/opt/cray/dvs/2.5_0.9.0-1.0502.2188.1.113.gem/bin:/opt/cray/xpmem/0.1-2.0502.64982.5.3.gem/bin:/opt/cray/pmi/5.0.10-1.0000.11050.179.3.gem/bin:/opt/cray/ugni/6.0-1.0502.10863.8.28.gem/bin:/opt/cray/udreg/2.3.2-1.0502.10518.2.17.gem/bin:/opt/gcc/4.9.3/bin:/opt/cray/mpt/7.5.0/gni/bin:/opt/cray/craype/2.5.4/bin:/sw/tools/bin:/sw/tools/bin:/sw/admin/scripts:/sw/user/scripts:/usr/local/gsi-openssh-6.2p2-2/bin:/opt/java/jdk1.8.0_51/bin:/usr/local/globus-5.2.5/bin:/usr/local/globus-5.2.5/sbin:/opt/moab/9.0.2t2/sbin:/opt/torque/6.0.1-end/sbin:/opt/torque/6.0.1-end/bin:/opt/cray/eslogin/eswrap/1.3.3-1.020200.1278.0/bin:/opt/modules/3.2.10.4/bin:/opt/moab/9.0.2t2/bin:/u/system/bwjenkins/bin:/usr/local/bin:/usr/bin:/bin:/usr/bin/X11:/usr/X11R6/bin:/usr/games:/usr/lib/mit/bin:/usr/lib/mit/sbin:/usr/lib/qt3/bin:/opt/cray/bin ;export PATH;PE_FFTW_REQUIRED_PRODUCTS=PE_MPICH ;export PE_FFTW_REQUIRED_PRODUCTS;PE_FFTW_TARGET_broadwell=broadwell ;export PE_FFTW_TARGET_broadwell;PE_FFTW_TARGET_haswell=haswell ;export PE_FFTW_TARGET_haswell;PE_FFTW_TARGET_interlagos=interlagos ;export PE_FFTW_TARGET_interlagos;PE_FFTW_TARGET_mic_knl=mic_knl ;export PE_FFTW_TARGET_mic_knl;PE_FFTW_TARGET_sandybridge=sandybridge ;export PE_FFTW_TARGET_sandybridge;PE_FFTW_TARGET_x86_64=x86_64 ;export PE_FFTW_TARGET_x86_64;PE_FFTW_VOLATILE_PKGCONFIG_PATH=/opt/cray/fftw/3.3.4.7/@PE_FFTW_TARGET@/lib/pkgconfig ;export PE_FFTW_VOLATILE_PKGCONFIG_PATH;PE_PKGCONFIG_LIBS=fftw3f_mpi:fftw3f_threads:fftw3f:fftw3_mpi:fftw3_threads:fftw3:AtpSigHandler:cray-rca:libsci_mpi:libsci:mpich ;export PE_PKGCONFIG_LIBS;PE_PKGCONFIG_PRODUCTS=PE_FFTW:PE_LIBSCI:PE_MPICH ;export PE_PKGCONFIG_PRODUCTS;_LMFILES_=/opt/modulefiles/modules/3.2.10.4:/opt/modulefiles/eswrap/1.3.3-1.020200.1278.0:/opt/modulefiles/gcc/4.9.3:/opt/cray/craype/2.5.4/modulefiles/craype-network-gemini:/opt/cray/craype/2.5.4/modulefiles/craype-interlagos:/opt/cray/modulefiles/craype/2.5.4:/opt/modulefiles/torque/6.0.1:/opt/modulefiles/moab/9.0.2.TAS2-1477409647_6706986-sles11:/opt/modulefiles/java/jdk1.8.0_51:/usr/local/modulefiles/globus/5.2.5:/usr/local/modulefiles/gsissh/6.2p2:/sw/xe/modulefiles/scripts:/sw/xe/modulefiles/user-paths:/opt/cray/modulefiles/cray-mpich/7.5.0:/opt/cray/modulefiles/cray-libsci/16.03.1:/opt/cray/gem/modulefiles/udreg/2.3.2-1.0502.10518.2.17.gem:/opt/cray/gem/modulefiles/ugni/6.0-1.0502.10863.8.28.gem:/opt/cray/gem/modulefiles/pmi/5.0.10-1.0000.11050.179.3.gem:/opt/cray/gem/modulefiles/dmapp/7.0.1-1.0502.11080.8.74.gem:/opt/cray/gem/modulefiles/gni-headers/4.0-1.0502.10859.7.8.gem:/opt/cray/gem/modulefiles/xpmem/0.1-2.0502.64982.5.3.gem:/opt/cray/gem/modulefiles/dvs/2.5_0.9.0-1.0502.2188.1.113.gem:/opt/cray/gem/modulefiles/alps/5.2.4-2.0502.9774.31.12.gem:/opt/cray/gem/modulefiles/rca/1.0.0-2.0502.60530.1.63.gem:/opt/cray/modulefiles/atp/2.0.1:/opt/cray/modulefiles/PrgEnv-gnu/5.2.82:/sw/xe/modulefiles/boost/1.53.0:/sw/xe/modulefiles/cmake/3.1.3:/opt/cray/modulefiles/fftw/3.3.4.7 ;export _LMFILES_;
bin/
bin/rmg-cpu
bin/readme.txt
bin/rmg-gpu
build.env
BUILD_INSTRUCTIONS
src/
src/XC/
src/XC/cmake_install.cmake
src/XC/vdw_correlation.cpp
src/XC/erf.f90
src/XC/CMakeLists.txt
src/XC/matches.f90
src/XC/Makefile
src/XC/constants.f90
src/XC/io_global.f90
src/XC/lsda_functionals.F90
src/XC/vdW_kernel_table
src/XC/kind.f90
src/XC/capital.f90
src/XC/metagga.F90
src/XC/expint.f90
src/XC/funct.f90
src/XC/vdw_splines.f90
src/XC/Functional.cpp
src/XC/more_functionals.F90
src/XC/CMakeFiles/
src/XC/CMakeFiles/CMakeDirectoryInformation.cmake
src/XC/CMakeFiles/XC1.dir/
src/XC/CMakeFiles/XC1.dir/cmake_clean_target.cmake
src/XC/CMakeFiles/XC1.dir/funct.f90.o.provides.build
src/XC/CMakeFiles/XC1.dir/build.make
src/XC/CMakeFiles/XC1.dir/link.txt
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src/XC/CMakeFiles/XC1.dir/io_global.f90.o.provides.build
src/XC/CMakeFiles/XC1.dir/DependInfo.cmake
src/XC/CMakeFiles/XC1.dir/cmake_clean_Fortran.cmake
src/XC/CMakeFiles/XC1.dir/fortran.internal
src/XC/CMakeFiles/XC1.dir/vdw_splines.f90.o.provides.build
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src/XC/CMakeFiles/XC1.dir/kind.f90.o.provides.build
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src/XC/CMakeFiles/progress.marks
src/XC/functionals.F90
src/cmake_install.cmake
src/SubprojectIncludes/
src/SubprojectIncludes/CMakeLists.txt.rmg-tddft.inc
src/SubprojectIncludes/CMakeLists.txt.rmg-negf.inc
src/SubprojectIncludes/CMakeLists.txt.rmg-on.inc
src/SubprojectIncludes/CMakeLists.txt.rmg.inc
src/SubprojectIncludes/CMakeLists.txt.on-tddft.inc
src/Headers/
src/Headers/Scalapack.h
src/Headers/pe_control.h
src/Headers/State.h
src/Headers/RmgInputFile.h
src/Headers/RmgThread.h
src/Headers/make_conf.h
src/Headers/common_prototypes1.h
src/Headers/pack_3d.h
src/Headers/Solvers.h
src/Headers/cnpy.h
src/Headers/my_scalapack.h
src/Headers/MapElements.h
src/Headers/my_mpi.h
src/Headers/remap_3d.h
src/Headers/input.h
src/Headers/InputKey.h
src/Headers/blas.h
src/Headers/ErrorFuncs.h
src/Headers/RmgException.h
src/Headers/typedefs.h
src/Headers/RmgParallelFft.h
src/Headers/Pw.h
src/Headers/vdW.h
src/Headers/common_prototypes.h
src/Headers/fastonebigheader.h
src/Headers/BlasWrappers.h
src/Headers/Plots.h
src/Headers/macros.h
src/Headers/rmg_control.h
src/Headers/init_var.h
src/Headers/AtomicInterpolate.h
src/Headers/GlobalSums.h
src/Headers/lbfgs.h
src/Headers/species.h
src/Headers/Atomic.h
src/Headers/svn-commit.tmp
src/Headers/rmg_xc.h
src/Headers/blacs.h
src/Headers/grid.h
src/Headers/Subdiag.h
src/Headers/rmg_alloc.h
src/Headers/portability.h
src/Headers/Functional.h
src/Headers/BesselRoots.h.sav
src/Headers/mg.h
src/Headers/RmgShm.h
src/Headers/RmgGemm.h
src/Headers/CheckValue.h
src/Headers/GpuAlloc.h
src/Headers/Kpoint.h
src/Headers/BesselRoots.h
src/Headers/InternalPseudo.h
src/Headers/InputOpts.h
src/Headers/rmgtypedefs.h
src/Headers/main.h
src/Headers/const.h
src/Headers/rmgthreads.h
src/Headers/transition.h
src/Headers/svnrev.h
src/Headers/params.h
src/PlatformChecks/
src/PlatformChecks/README
src/PlatformChecks/CheckPlplot.inc
src/PlatformChecks/CheckOpenbabel.inc
src/PlatformChecks/CheckScalapack.inc
src/PlatformChecks/CheckAsyncAllreduce.inc
src/RMG/
src/RMG/Headers/
src/RMG/Headers/prototypes.h
src/RMG/Make.aix
src/RMG/in.sample
src/RMG/CMakeLists.txt
src/RMG/in.c60
src/RMG/Make.xt
src/RMG/SvnRev/
src/RMG/SvnRev/svnrev.c
src/RMG/Subdiag/
src/RMG/Subdiag/cmake_install.cmake
src/RMG/Subdiag/FoldedSpectrumScalapackGSE.cpp
src/RMG/Subdiag/Subdiag_Magma.cpp
src/RMG/Subdiag/Rmg_zhegvd_gpu.cpp
src/RMG/Subdiag/CMakeLists.txt
src/RMG/Subdiag/Makefile
src/RMG/Subdiag/FoldedSpectrumScalapackOrtho.cpp
src/RMG/Subdiag/FoldedSpectrumScalapack.cpp
src/RMG/Subdiag/FoldedSpectrumGSE.cpp
src/RMG/Subdiag/FoldedSpectrumIterator.cpp
src/RMG/Subdiag/Subdiag_Scalapack.cpp
src/RMG/Subdiag/FoldedSpectrumSetup.cpp
src/RMG/Subdiag/ApplyOperators.cpp
src/RMG/Subdiag/Rmg_dsygvd_gpu.cpp
src/RMG/Subdiag/Subdiag.cpp
src/RMG/Subdiag/CMakeFiles/
src/RMG/Subdiag/CMakeFiles/CMakeDirectoryInformation.cmake
src/RMG/Subdiag/CMakeFiles/progress.marks
src/RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/
src/RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/cmake_clean_target.cmake
src/RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/FoldedSpectrumIterator.cpp.rpo
src/RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/build.make
src/RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/link.txt
src/RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/Subdiag_Magma.cpp.rpo
src/RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/progress.make
src/RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/DependInfo.cmake
src/RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/Subdiag.cpp.rpo
src/RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/FoldedSpectrumSetup.cpp.rpo
src/RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/FoldedSpectrum.cpp.rpo
src/RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/ApplyOperators.cpp.rpo
src/RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/Subdiag_Lapack.cpp.rpo
src/RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/Subdiag_Scalapack.cpp.rpo
src/RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/Rmg_zhegvd_gpu.cpp.rpo
src/RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/CXX.includecache
src/RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/FoldedSpectrumGSE.cpp.rpo
src/RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/depend.make
src/RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/FoldedSpectrumScalapack.cpp.rpo
src/RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/Rmg_dsygvd_gpu.cpp.rpo
src/RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/depend.internal
src/RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/FoldedSpectrumScalapackGSE.cpp.rpo
src/RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/flags.make
src/RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/cmake_clean.cmake
src/RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/FoldedSpectrumOrtho.cpp.rpo
src/RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/FoldedSpectrumScalapackOrtho.cpp.rpo
src/RMG/Subdiag/Subdiag_Lapack.cpp
src/RMG/Subdiag/FoldedSpectrumOrtho.cpp
src/RMG/Subdiag/FoldedSpectrum.cpp
src/RMG/Common/
src/RMG/Common/cmake_install.cmake
src/RMG/Common/EnergyCorrection.cpp
src/RMG/Common/write_pdb.c
src/RMG/Common/pack_rho_ctof.c
src/RMG/Common/Betaxpsi.cpp
src/RMG/Common/init_gpu.c
src/RMG/Common/LcaoGetPsi.cpp.new
src/RMG/Common/neb_relax.c
src/RMG/Common/MgridSubspace.cpp
src/RMG/Common/getpoi_bc.c
src/RMG/Common/GetNewRho.cpp
src/RMG/Common/CMakeLists.txt
src/RMG/Common/write_zstates.c
src/RMG/Common/test_overlap.c
src/RMG/Common/real_min_all.c
src/RMG/Common/bsplines.c
src/RMG/Common/ReadData.cpp
src/RMG/Common/Makefile
src/RMG/Common/init_img_topo.c
src/RMG/Common/write_force.c
src/RMG/Common/ApplyHamiltonian.cpp
src/RMG/Common/write_avgv.c
src/RMG/Common/WriteBGW_Rhog.cpp
src/RMG/Common/fire.c
src/RMG/Common/ApplyHamiltonianBlock.cpp
src/RMG/Common/PotentialAcceleration.cpp
src/RMG/Common/transition_rmg.cpp
src/RMG/Common/rmg_lbfgs.c
src/RMG/Common/claim_ion.c
src/RMG/Common/ReinitIonicPotentials.cpp
src/RMG/Common/GetWeightLocal.cpp
src/RMG/Common/app_smooth.cpp
src/RMG/Common/AssignWeight.cpp
src/RMG/Common/PartialGamma.cpp
src/RMG/Common/wvfn_residual.c
src/RMG/Common/GetPhase.cpp
src/RMG/Common/lbfgs.c
src/RMG/Common/MolecularDynamics.cpp
src/RMG/Common/symmetry.c
src/RMG/Common/WriteBGW_Wfng.cpp
src/RMG/Common/move_ions.c
src/RMG/Common/pulay_rho.c
src/RMG/Common/Davidson.cpp
src/RMG/Common/AppNls.cpp
src/RMG/Common/get_extrapolation_constants.c
src/RMG/Common/BandStructure.cpp
src/RMG/Common/RmgThread.cpp
src/RMG/Common/WriteRestart.cpp
src/RMG/Common/write_header.c
src/RMG/Common/LcaoGetPsi.cpp
src/RMG/Common/svn-commit.tmp
src/RMG/Common/nlforce_par_omega.c
src/RMG/Common/Kpoint.cpp
src/RMG/Common/set_pbc.c
src/RMG/Common/DavPreconditioner.cpp
src/RMG/Common/mg_prolong_6.c
src/RMG/Common/Main.cpp
src/RMG/Common/Nlforce.cpp
src/RMG/Common/write_avgd.c
src/RMG/Common/pack_stop_axpy.cpp
src/RMG/Common/GetWeight.cpp
src/RMG/Common/MgEigState.cpp
src/RMG/Common/rand0.c
src/RMG/Common/WriteData.cpp
src/RMG/Common/WriteData.cpp.fft
src/RMG/Common/CMakeFiles/
src/RMG/Common/CMakeFiles/CMakeDirectoryInformation.cmake
src/RMG/Common/CMakeFiles/RMG_Common.dir/
src/RMG/Common/CMakeFiles/RMG_Common.dir/LcaoGetAwave.cpp.rpo
src/RMG/Common/CMakeFiles/RMG_Common.dir/ApplyBOperator.cpp.rpo
src/RMG/Common/CMakeFiles/RMG_Common.dir/cmake_clean_target.cmake
src/RMG/Common/CMakeFiles/RMG_Common.dir/LcaoGetPsi.cpp.rpo
src/RMG/Common/CMakeFiles/RMG_Common.dir/PotentialAcceleration.cpp.rpo
src/RMG/Common/CMakeFiles/RMG_Common.dir/Main.cpp.rpo
src/RMG/Common/CMakeFiles/RMG_Common.dir/WriteData.cpp.rpo
src/RMG/Common/CMakeFiles/RMG_Common.dir/GetNewRho.cpp.rpo
src/RMG/Common/CMakeFiles/RMG_Common.dir/Quench.cpp.rpo
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src/RMG/Common/CMakeFiles/RMG_Common.dir/Scf.cpp.rpo
src/RMG/Common/CMakeFiles/RMG_Common.dir/GetDerweight.cpp.rpo
src/RMG/Common/CMakeFiles/RMG_Common.dir/app_smooth.cpp.rpo
src/RMG/Common/CMakeFiles/RMG_Common.dir/ReinitIonicPotentials.cpp.rpo
src/RMG/Common/CMakeFiles/RMG_Common.dir/MixBetaxpsi1.cpp.rpo
src/RMG/Common/CMakeFiles/RMG_Common.dir/betaxpsi1.c.o
src/RMG/Common/CMakeFiles/RMG_Common.dir/ApplyAOperator.cpp.rpo
src/RMG/Common/CMakeFiles/RMG_Common.dir/GetNlop.cpp.rpo
src/RMG/Common/CMakeFiles/RMG_Common.dir/AssignDerweight.cpp.rpo
src/RMG/Common/CMakeFiles/RMG_Common.dir/AppCirDriverBeta.cpp.rpo
src/RMG/Common/CMakeFiles/RMG_Common.dir/pack_stop_axpy.cpp.rpo
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src/RMG/Common/CMakeFiles/RMG_Common.dir/AppNls.cpp.rpo
src/RMG/Common/CMakeFiles/RMG_Common.dir/MixRho.cpp.rpo
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src/RMG/Common/CMakeFiles/RMG_Common.dir/Nlforce.cpp.rpo
src/RMG/Common/CMakeFiles/RMG_Common.dir/State.cpp.rpo
src/RMG/Common/CMakeFiles/RMG_Common.dir/MgEigState.cpp.rpo
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src/RMG/Common/CMakeFiles/RMG_Common.dir/Kpoint.cpp.rpo
src/RMG/Common/CMakeFiles/RMG_Common.dir/GetWeight.cpp.rpo
src/RMG/Common/CMakeFiles/RMG_Common.dir/Betaxpsi.cpp.rpo
src/RMG/Common/CMakeFiles/RMG_Common.dir/app_smooth1.cpp.rpo
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src/RMG/Common/CMakeFiles/RMG_Common.dir/OutputEigenvalues.cpp.rpo
src/RMG/Common/CMakeFiles/RMG_Common.dir/GetGamma.cpp.rpo
src/RMG/Common/CMakeFiles/RMG_Common.dir/PartialGamma.cpp.rpo
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src/XC_useLIBXC/bpgcxc.f
src/XC_useLIBXC/relax_tau.c
src/XC_useLIBXC/mix_tau.c
src/XC_useLIBXC/corlyp.c
src/README.windows
src/RmgLib/
src/RmgLib/cmake_install.cmake
src/RmgLib/CMakeLists.txt
src/RmgLib/examples/
src/RmgLib/examples/Poisson/
src/RmgLib/examples/Poisson/poisson_pbc.cpp
src/RmgLib/Makefile
src/RmgLib/include/
src/RmgLib/include/Lattice.h
src/RmgLib/include/BaseGrid.h
src/RmgLib/include/FiniteDiff.h
src/RmgLib/include/boundary_conditions.h
src/RmgLib/include/BaseThreadControl.h
src/RmgLib/include/BaseThread.h
src/RmgLib/include/spinlock.h
src/RmgLib/include/RmgLib_version.h
src/RmgLib/include/RmgTimer.h
src/RmgLib/include/vhartree.h
src/RmgLib/include/RmgThreadAlloc.h
src/RmgLib/include/Mgrid.h
src/RmgLib/include/RmgSumAll.h
src/RmgLib/include/TradeImages.h
src/RmgLib/include/rmg_error.h
src/RmgLib/include/RmgLib.h
src/RmgLib/include/packfuncs.h
src/RmgLib/CREDITS
src/RmgLib/CMakeFiles/
src/RmgLib/CMakeFiles/CMakeDirectoryInformation.cmake
src/RmgLib/CMakeFiles/progress.marks
src/RmgLib/CMakeFiles/poisson_pbc.dir/
src/RmgLib/CMakeFiles/poisson_pbc.dir/build.make
src/RmgLib/CMakeFiles/poisson_pbc.dir/link.txt
src/RmgLib/CMakeFiles/poisson_pbc.dir/examples/
src/RmgLib/CMakeFiles/poisson_pbc.dir/examples/Poisson/
src/RmgLib/CMakeFiles/poisson_pbc.dir/progress.make
src/RmgLib/CMakeFiles/poisson_pbc.dir/DependInfo.cmake
src/RmgLib/CMakeFiles/poisson_pbc.dir/CXX.includecache
src/RmgLib/CMakeFiles/poisson_pbc.dir/depend.make
src/RmgLib/CMakeFiles/poisson_pbc.dir/depend.internal
src/RmgLib/CMakeFiles/poisson_pbc.dir/flags.make
src/RmgLib/CMakeFiles/poisson_pbc.dir/cmake_clean.cmake
src/RmgLib/CMakeFiles/RmgLib.dir/
src/RmgLib/CMakeFiles/RmgLib.dir/cmake_clean_target.cmake
src/RmgLib/CMakeFiles/RmgLib.dir/build.make
src/RmgLib/CMakeFiles/RmgLib.dir/link.txt
src/RmgLib/CMakeFiles/RmgLib.dir/progress.make
src/RmgLib/CMakeFiles/RmgLib.dir/DependInfo.cmake
src/RmgLib/CMakeFiles/RmgLib.dir/CXX.includecache
src/RmgLib/CMakeFiles/RmgLib.dir/depend.make
src/RmgLib/CMakeFiles/RmgLib.dir/depend.internal
src/RmgLib/CMakeFiles/RmgLib.dir/flags.make
src/RmgLib/CMakeFiles/RmgLib.dir/cmake_clean.cmake
src/RmgLib/CMakeFiles/RmgLib.dir/src/
src/RmgLib/CMakeFiles/RmgLib.dir/src/app_grad_driver.cpp.rpo
src/RmgLib/CMakeFiles/RmgLib.dir/src/TradeImages.cpp.rpo
src/RmgLib/CMakeFiles/RmgLib.dir/src/RmgTimer.cpp.rpo
src/RmgLib/CMakeFiles/RmgLib.dir/src/app_cil_driver_threaded.cpp.rpo
src/RmgLib/CMakeFiles/RmgLib.dir/src/RmgPrintTimings.cpp.rpo
src/RmgLib/CMakeFiles/RmgLib.dir/src/get_vh.cpp.rpo
src/RmgLib/CMakeFiles/RmgLib.dir/src/app_cir_driver.cpp.rpo
src/RmgLib/CMakeFiles/RmgLib.dir/src/FiniteDiff.cpp.rpo
src/RmgLib/CMakeFiles/RmgLib.dir/src/rmg_error.cpp.rpo
src/RmgLib/CMakeFiles/RmgLib.dir/src/RmgSumAll.cpp.rpo
src/RmgLib/CMakeFiles/RmgLib.dir/src/BaseThread.cpp.rpo
src/RmgLib/CMakeFiles/RmgLib.dir/src/packfuncs.cpp.rpo
src/RmgLib/CMakeFiles/RmgLib.dir/src/Mgrid.cpp.rpo
src/RmgLib/CMakeFiles/RmgLib.dir/src/Lattice.cpp.rpo
src/RmgLib/CMakeFiles/RmgLib.dir/src/app_del2_driver.cpp.rpo
src/RmgLib/CMakeFiles/RmgLib.dir/src/app_cil_driver.cpp.rpo
src/RmgLib/CMakeFiles/RmgLib.dir/src/BaseGrid.cpp.rpo
src/RmgLib/CMakeFiles/RmgLibShared.dir/
src/RmgLib/CMakeFiles/RmgLibShared.dir/build.make
src/RmgLib/CMakeFiles/RmgLibShared.dir/link.txt
src/RmgLib/CMakeFiles/RmgLibShared.dir/progress.make
src/RmgLib/CMakeFiles/RmgLibShared.dir/DependInfo.cmake
src/RmgLib/CMakeFiles/RmgLibShared.dir/CXX.includecache
src/RmgLib/CMakeFiles/RmgLibShared.dir/depend.make
src/RmgLib/CMakeFiles/RmgLibShared.dir/depend.internal
src/RmgLib/CMakeFiles/RmgLibShared.dir/flags.make
src/RmgLib/CMakeFiles/RmgLibShared.dir/cmake_clean.cmake
src/RmgLib/CMakeFiles/RmgLibShared.dir/src/
src/RmgLib/src/
src/RmgLib/src/RmgTimer.cpp
src/RmgLib/src/TradeImages.cpp
src/RmgLib/src/app_cir_driver.cpp
src/RmgLib/src/RmgSumAll.cpp
src/RmgLib/src/Lattice.cpp
src/RmgLib/src/app_cil_driver_threaded.cpp
src/RmgLib/src/RmgMaxAll.cpp
src/RmgLib/src/packfuncs.cpp
src/RmgLib/src/app_del2_driver.cpp
src/RmgLib/src/BaseGrid.cpp
src/RmgLib/src/FiniteDiff.cpp
src/RmgLib/src/svn-commit.tmp
src/RmgLib/src/app_cil_driver.cpp
src/RmgLib/src/app_grad_driver.cpp
src/RmgLib/src/RmgLib.cpp
src/RmgLib/src/get_vh.cpp
src/RmgLib/src/rmg_error.cpp
src/RmgLib/src/RmgPrintTimings.cpp
src/RmgLib/src/Mgrid.cpp
src/RmgLib/src/BaseThread.cpp
src/cmake/
src/cmake/CMakeFiles/
src/cmake/CMakeFiles/cmake.check_cache
src/cmake/Modules/
src/cmake/Modules/FindNUMA.cmake
src/cmake/Modules/FindPLPLOT.cmake
src/cmake/Modules/FindOPENBABEL.cmake
src/cmake/Modules/FindBLACS.cmake
src/cmake/Modules/FindELEMENTAL.cmake
src/cmake/Modules/FindMAGMA.cmake
src/cmake/Modules/FindSCALAPACK.cmake
src/cmake/Modules/FindLIBSPG.cmake
src/cmake/Modules/FindPMRRR.cmake
src/cmake/Modules/FindPFFT.cmake
src/cmake/Modules/FindBZ2.cmake
src/cmake/Modules/FindFFTW.cmake
src/cmake/Modules/FindZ.cmake
src/cmake/Modules/FindLIBXC.cmake
src/cmake/CMakeCache.txt
src/script_to_rmg
src/README.stable
src/CMakeCPackOptions.cmake.in
src/InternalPseudo/
src/InternalPseudo/cmake_install.cmake
src/InternalPseudo/CMakeLists.txt
src/InternalPseudo/Makefile
src/InternalPseudo/Data/
src/InternalPseudo/Data/na_pbe_v1.uspp.F.UPF.h
src/InternalPseudo/Data/k_pbe_v1.uspp.F.UPF.h
src/InternalPseudo/Data/sb_pbe_v1.4.uspp.F.UPF.h
src/InternalPseudo/Data/te_pbe_v1.uspp.F.UPF.h
src/InternalPseudo/Data/fe_pbe_v1.5.uspp.F.UPF.h
src/InternalPseudo/Data/be_pbe_v1.4.uspp.F.UPF.h
src/InternalPseudo/Data/cl_pbe_v1.4.uspp.F.UPF.h
src/InternalPseudo/Data/se_pbe_v1.uspp.F.UPF.h
src/InternalPseudo/Data/br_pbe_v1.4.uspp.F.UPF.h
src/InternalPseudo/Data/tc_pbe_v1.uspp.F.UPF.h
src/InternalPseudo/Data/sn_pbe_v1.4.uspp.F.UPF.h
src/InternalPseudo/Data/in_pbe_v1.uspp.F.UPF.h
src/InternalPseudo/Data/ge_pbe_v1.4.uspp.F.UPF.h
src/InternalPseudo/Data/v_pbe_v1.4.uspp.F.UPF.h
src/InternalPseudo/Data/ga_pbe_v1.4.uspp.F.UPF.h
src/InternalPseudo/Data/si_pbe_v1.uspp.F.UPF.h
src/InternalPseudo/Data/n_pbe_v1.2.uspp.F.UPF.h
src/InternalPseudo/Data/rb_pbe_v1.uspp.F.UPF.h
src/InternalPseudo/Data/cd_pbe_v1.uspp.F.UPF.h
src/InternalPseudo/Data/cl_pbe_v1.2.uspp.F.UPF.h
src/InternalPseudo/Data/al_pbe_v1.uspp.F.UPF.h
src/InternalPseudo/Data/f_pbe_v1.2.uspp.F.UPF.h
src/InternalPseudo/Data/b_pbe_v1.4.uspp.F.UPF.h
src/InternalPseudo/Data/ge_pbe_v1.uspp.F.UPF.h
src/InternalPseudo/Data/pd_pbe_v1.4.uspp.F.UPF.h
src/InternalPseudo/Data/p_pbe_v1.uspp.F.UPF.h
src/InternalPseudo/Data/ag_pbe_v1.4.uspp.F.UPF.h
src/InternalPseudo/Data/nb_pbe_v1.uspp.F.UPF.h
src/InternalPseudo/Data/pb_pbe_v1.uspp.F.UPF.h
src/InternalPseudo/Data/li_pbe_v1.uspp.F.UPF.h
src/InternalPseudo/Data/tl_pbe_v1.2.uspp.F.UPF.h
src/InternalPseudo/Data/na_pbe_v1.5.uspp.F.UPF.h
src/InternalPseudo/Data/s_pbe_v1.2.uspp.F.UPF.h
src/InternalPseudo/Data/sb_pbe_v1.uspp.F.UPF.h
src/InternalPseudo/Data/k_pbe_v1.4.uspp.F.UPF.h
src/InternalPseudo/Data/li_pbe_v1.4.uspp.F.UPF.h
src/InternalPseudo/Data/v_pbe_v1.uspp.F.UPF.h
src/InternalPseudo/Data/fe_pbe_v1.2.uspp.F.UPF.h
src/InternalPseudo/Data/os_pbe_v1.2.uspp.F.UPF.h
src/InternalPseudo/Data/ta_pbe_v1.uspp.F.UPF.h
src/InternalPseudo/Data/mg_pbe_v1.uspp.F.UPF.h
src/InternalPseudo/Data/ag_pbe_v1.uspp.F.UPF.h
src/InternalPseudo/Data/rh_pbe_v1.4.uspp.F.UPF.h
src/InternalPseudo/Data/au_pbe_v1.uspp.F.UPF.h
src/InternalPseudo/Data/la_pbe_v1.uspp.F.UPF.h
src/InternalPseudo/Data/b_pbe_v1.01.uspp.F.UPF.h
src/InternalPseudo/Data/ru_pbe_v1.2.uspp.F.UPF.h
src/InternalPseudo/Data/pd_pbe_v1.2.uspp.F.UPF.h
src/InternalPseudo/Data/hg_pbe_v1.uspp.F.UPF.h
src/InternalPseudo/Data/ti_pbe_v1.uspp.F.UPF.h
src/InternalPseudo/Data/s_pbe_v1.4.uspp.F.UPF.h
src/InternalPseudo/Data/mn_pbe_v1.5.uspp.F.UPF.h
src/InternalPseudo/Data/h_pbe_v1.4.uspp.F.UPF.h
src/InternalPseudo/Data/pt_pbe_v1.4.uspp.F.UPF.h
src/InternalPseudo/Data/ti_pbe_v1.4.uspp.F.UPF.h
src/InternalPseudo/Data/ba_pbe_v1.uspp.F.UPF.h
src/InternalPseudo/Data/y_pbe_v1.uspp.F.UPF.h
src/InternalPseudo/Data/cr_pbe_v1.2.uspp.F.UPF.h
src/InternalPseudo/Data/y_pbe_v1.4.uspp.F.UPF.h
src/InternalPseudo/Data/sn_pbe_v1.uspp.F.UPF.h
src/InternalPseudo/Data/cr_pbe_v1.5.uspp.F.UPF.h
src/InternalPseudo/Data/ni_pbe_v1.4.uspp.F.UPF.h
src/InternalPseudo/Data/h_pbe_v1.uspp.F.UPF.h
src/InternalPseudo/Data/in_pbe_v1.4.uspp.F.UPF.h
cd src
cmake .
src/InternalPseudo/Data/c_pbe_v1.2.uspp.F.UPF.h
src/InternalPseudo/Data/mn_pbe_v1.2.uspp.F.UPF.h
src/InternalPseudo/Data/ir_pbe_v1.2.uspp.F.UPF.h
src/InternalPseudo/Data/as_pbe_v1.uspp.F.UPF.h
src/InternalPseudo/Data/w_pbe_v1.2.uspp.F.UPF.h
src/InternalPseudo/Data/f_pbe_v1.4.uspp.F.UPF.h
src/InternalPseudo/Data/rh_pbe_v1.2.uspp.F.UPF.h
src/InternalPseudo/Data/mo_pbe_v1.uspp.F.UPF.h
src/InternalPseudo/Data/cu_pbe_v1.2.uspp.F.UPF.h
src/InternalPseudo/Data/o_pbe_v1.2.uspp.F.UPF.h
src/InternalPseudo/Data/p_pbe_v1.5.uspp.F.UPF.h
src/InternalPseudo/Data/re_pbe_v1.2.uspp.F.UPF.h
src/InternalPseudo/Data/cs_pbe_v1.uspp.F.UPF.h
src/InternalPseudo/Data/pt_pbe_v1.uspp.F.UPF.h
src/InternalPseudo/Data/i_pbe_v1.uspp.F.UPF.h
src/InternalPseudo/Data/be_pbe_v1.2.uspp.F.UPF.h
src/InternalPseudo/Data/sc_pbe_v1.uspp.F.UPF.h
src/InternalPseudo/Data/zn_pbe_v1.uspp.F.UPF.h
src/InternalPseudo/Data/pseudo_list.h
src/InternalPseudo/Data/ca_pbe_v1.uspp.F.UPF.h
src/InternalPseudo/Data/hf_pbe_v1.uspp.F.UPF.h
src/InternalPseudo/Data/mg_pbe_v1.4.uspp.F.UPF.h
src/InternalPseudo/Data/zr_pbe_v1.uspp.F.UPF.h
src/InternalPseudo/Data/co_pbe_v1.2.uspp.F.UPF.h
src/InternalPseudo/Data/ni_pbe_v1.2.uspp.F.UPF.h
src/InternalPseudo/Data/sr_pbe_v1.uspp.F.UPF.h
src/InternalPseudo/Data/ga_pbe_v1.uspp.F.UPF.h
src/InternalPseudo/Data/br_pbe_v1.uspp.F.UPF.h
src/InternalPseudo/Data/bi_pbe_v1.uspp.F.UPF.h
src/InternalPseudo/CMakeFiles/
src/InternalPseudo/CMakeFiles/InternalPseudo.dir/
src/InternalPseudo/CMakeFiles/InternalPseudo.dir/cmake_clean_target.cmake
src/InternalPseudo/CMakeFiles/InternalPseudo.dir/build.make
src/InternalPseudo/CMakeFiles/InternalPseudo.dir/link.txt
src/InternalPseudo/CMakeFiles/InternalPseudo.dir/progress.make
src/InternalPseudo/CMakeFiles/InternalPseudo.dir/DependInfo.cmake
src/InternalPseudo/CMakeFiles/InternalPseudo.dir/CXX.includecache
src/InternalPseudo/CMakeFiles/InternalPseudo.dir/depend.make
src/InternalPseudo/CMakeFiles/InternalPseudo.dir/depend.internal
src/InternalPseudo/CMakeFiles/InternalPseudo.dir/flags.make
src/InternalPseudo/CMakeFiles/InternalPseudo.dir/InternalPseudo.cpp.rpo
src/InternalPseudo/CMakeFiles/InternalPseudo.dir/cmake_clean.cmake
src/InternalPseudo/CMakeFiles/CMakeDirectoryInformation.cmake
src/InternalPseudo/CMakeFiles/progress.marks
src/InternalPseudo/InternalPseudo.cpp
src/MG/
src/MG/cmake_install.cmake
src/MG/CMakeLists.txt
src/MG/Makefile
src/MG/find_grid_owner.c
src/MG/CMakeFiles/
src/MG/CMakeFiles/CMakeDirectoryInformation.cmake
src/MG/CMakeFiles/MG.dir/
src/MG/CMakeFiles/MG.dir/cmake_clean_target.cmake
src/MG/CMakeFiles/MG.dir/build.make
src/MG/CMakeFiles/MG.dir/link.txt
src/MG/CMakeFiles/MG.dir/Mgrid_Cbindings.cpp.rpo
src/MG/CMakeFiles/MG.dir/progress.make
src/MG/CMakeFiles/MG.dir/DependInfo.cmake
src/MG/CMakeFiles/MG.dir/C.includecache
src/MG/CMakeFiles/MG.dir/CXX.includecache
src/MG/CMakeFiles/MG.dir/depend.make
src/MG/CMakeFiles/MG.dir/depend.internal
src/MG/CMakeFiles/MG.dir/flags.make
src/MG/CMakeFiles/MG.dir/cmake_clean.cmake
src/MG/CMakeFiles/progress.marks
src/MG/Mgrid_Cbindings.cpp
src/svnrev.h.in
-- Could NOT find MPI_C (missing:  MPI_C_LIBRARIES MPI_C_INCLUDE_PATH) 
-- Could NOT find MPI_CXX (missing:  MPI_CXX_LIBRARIES MPI_CXX_INCLUDE_PATH) 
-- Could NOT find MPI_Fortran (missing:  MPI_Fortran_LIBRARIES MPI_Fortran_INCLUDE_PATH) 
-- Could NOT find PLPLOT (missing:  PLplot_LIBRARY PLplot_cxx_LIBRARY PLplot_INCLUDE_DIR) 
-- Boost version: 1.53.0
-- Found the following Boost libraries:
--   thread
--   system
--   iostreams
--   program_options
--   filesystem
-- Could NOT find OPENBABEL (missing:  OPENBABEL_LIBRARIES OPENBABEL_INCLUDES) 
CMake Warning (dev) at SubprojectIncludes/CMakeLists.txt.rmg.inc:8 (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:696 (include)
This warning is for project developers.  Use -Wno-dev to suppress it.

CMake Warning (dev) at SubprojectIncludes/CMakeLists.txt.rmg-negf.inc:3 (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-negf-cpu" does not exist.
Call Stack (most recent call first):
  CMakeLists.txt:699 (include)
This warning is for project developers.  Use -Wno-dev to suppress it.

CMake Warning (dev) at SubprojectIncludes/CMakeLists.txt.rmg-negf.inc:1 (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 "libxc" of target "rmg-negf-cpu" does not exist.
Call Stack (most recent call first):
  CMakeLists.txt:699 (include)
This warning is for project developers.  Use -Wno-dev to suppress it.

CMake Warning (dev) at SubprojectIncludes/CMakeLists.txt.on-tddft.inc:3 (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 "on-tddft" does not exist.
Call Stack (most recent call first):
  CMakeLists.txt:700 (include)
This warning is for project developers.  Use -Wno-dev to suppress it.

CMake Warning (dev) at SubprojectIncludes/CMakeLists.txt.on-tddft.inc:1 (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 "libxc" of target "on-tddft" does not exist.
Call Stack (most recent call first):
  CMakeLists.txt:700 (include)
This warning is for project developers.  Use -Wno-dev to suppress it.

CMake Warning (dev) at SubprojectIncludes/CMakeLists.txt.rmg-tddft.inc:3 (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-tddft-cpu" does not exist.
Call Stack (most recent call first):
  CMakeLists.txt:697 (include)
This warning is for project developers.  Use -Wno-dev to suppress it.

CMake Warning (dev) at SubprojectIncludes/CMakeLists.txt.rmg-tddft.inc:1 (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 "libxc" of target "rmg-tddft-cpu" does not exist.
Call Stack (most recent call first):
  CMakeLists.txt:697 (include)
This warning is for project developers.  Use -Wno-dev to suppress it.

CMake Warning (dev) at SubprojectIncludes/CMakeLists.txt.rmg-on.inc:3 (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-on" does not exist.
Call Stack (most recent call first):
  CMakeLists.txt:698 (include)
This warning is for project developers.  Use -Wno-dev to suppress it.

CMake Warning (dev) at SubprojectIncludes/CMakeLists.txt.rmg-on.inc:1 (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 "libxc" of target "rmg-on" does not exist.
Call Stack (most recent call first):
  CMakeLists.txt:698 (include)
This warning is for project developers.  Use -Wno-dev to suppress it.

-- Configuring done
#cd rmg-release_2.1
#mkdir build-cpu; cd build-cpu
#cmake -DOPENBABEL_INCLUDES=$INSTDIR/openbabel-2.3.2/install/include/openbabel-2.0 -#DOPENBABEL_LIBRARIES=$INSTDIR/openbabel-2.3.2/install/lib/libopenbabel.so.4.0.2 -#DPLplot_INCLUDE_DIR=$INSTDIR/plplot.git/install/include -#DPLplot_cxx_LIBRARY=$INSTDIR/plplot.git/install/lib/libplplotcxx.so -#DPLplot_LIBRARY=$INSTDIR/plplot.git/install/lib/libplplot.so ..
nice make -j12 rmg-cpu
-- Generating done
-- Build files have been written to: /u/system/bwjenkins/rmg-spp/src
Scanning dependencies of target InternalPseudo
[  0%] Building CXX object InternalPseudo/CMakeFiles/InternalPseudo.dir/InternalPseudo.cpp.o
Scanning dependencies of target MG
Scanning dependencies of target RMG_Spin
[  0%] [  0%] Building CXX object MG/CMakeFiles/MG.dir/Mgrid_Cbindings.cpp.o
Building CXX object RMG/Spin/CMakeFiles/RMG_Spin.dir/GetOppositeEigvals.cpp.o
Scanning dependencies of target XC1
[  2%] Building Fortran object XC/CMakeFiles/XC1.dir/kind.f90.o
Scanning dependencies of target Force
[  2%] Building Fortran object XC/CMakeFiles/XC1.dir/io_global.f90.o
[  2%] Building CXX object Force/CMakeFiles/Force.dir/CorrectForces.cpp.o
[  2%] Building Fortran object XC/CMakeFiles/XC1.dir/constants.f90.o
Scanning dependencies of target RmgLib
Scanning dependencies of target RMG_Subdiag
[  2%] Building Fortran object XC/CMakeFiles/XC1.dir/funct.f90.o
[  2%] Building CXX object RmgLib/CMakeFiles/RmgLib.dir/src/TradeImages.cpp.o
[  2%] Building CXX object RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/ApplyOperators.cpp.o
Scanning dependencies of target Input
Scanning dependencies of target Finite_diff
[  2%] Building CXX object Input/CMakeFiles/Input.dir/AutoSet.cpp.o
[  2%] Building CXX object Finite_diff/CMakeFiles/Finite_diff.dir/ApplyGradient.cpp.o
Scanning dependencies of target US_PP
[  2%] Building CXX object US_PP/CMakeFiles/US_PP.dir/PackGftoc.cpp.o
[  2%] Building Fortran object XC/CMakeFiles/XC1.dir/vdw_splines.f90.o
[  2%] Building Fortran object XC/CMakeFiles/XC1.dir/functionals.F90.o
[  2%] Building CXX object US_PP/CMakeFiles/US_PP.dir/GetPhaseSpecies.cpp.o
[  2%] Building Fortran object XC/CMakeFiles/XC1.dir/lsda_functionals.F90.o
[  2%] Building Fortran object XC/CMakeFiles/XC1.dir/metagga.F90.o
Scanning dependencies of target Misc
[  2%] Building Fortran object XC/CMakeFiles/XC1.dir/capital.f90.o
[  4%] Building Fortran object XC/CMakeFiles/XC1.dir/expint.f90.o
[  6%] Building CXX object Misc/CMakeFiles/Misc.dir/IonIonEnergy_Ewald.cpp.o
[  6%] Building Fortran object XC/CMakeFiles/XC1.dir/erf.f90.o
[  6%] Building Fortran object XC/CMakeFiles/XC1.dir/matches.f90.o
[  6%] Building Fortran object XC/CMakeFiles/XC1.dir/more_functionals.F90.o
Scanning dependencies of target RMG_Common
/u/system/bwjenkins/rmg-spp/src/Force/CorrectForces.cpp: In function 'void CorrectForces(double*, double*, double*, double*, double*)':
/u/system/bwjenkins/rmg-spp/src/Force/CorrectForces.cpp:59:45: warning: unused variable 'mone' [-Wunused-variable]
     double alpha = get_vel_f(), zero = 0.0, mone = -1.0;
                                             ^
[  6%] Building CXX object XC/CMakeFiles/XC1.dir/vdw_correlation.cpp.o
[  6%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/GetPhase.cpp.o
[  6%] Building CXX object US_PP/CMakeFiles/US_PP.dir/InitClebschGordan.cpp.o
[  6%] [  6%] Building CXX object Force/CMakeFiles/Force.dir/Lforce.cpp.o
Building C object MG/CMakeFiles/MG.dir/find_grid_owner.c.o
[  6%] Building CXX object RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/Subdiag.cpp.o
[  6%] Building CXX object Finite_diff/CMakeFiles/Finite_diff.dir/ApplyLaplacian.cpp.o
[  8%] Building CXX object RMG/Spin/CMakeFiles/RMG_Spin.dir/GetOppositeOccupancies.cpp.o
Linking CXX static library libMG.a
/u/system/bwjenkins/rmg-spp/src/XC/vdw_correlation.cpp: In constructor 'Vdw::Vdw(BaseGrid&, Lattice&, TradeImages&, int, double*, double*, double&, double&, double*, bool)':
/u/system/bwjenkins/rmg-spp/src/XC/vdw_correlation.cpp:194:10: warning: variable 'filter_ratio' set but not used [-Wunused-but-set-variable]
   double filter_ratio = 1.0;
          ^
[  8%] Built target MG
[  8%] Building C object RMG/Spin/CMakeFiles/RMG_Spin.dir/get_rho_oppo.c.o
[  8%] Building CXX object Finite_diff/CMakeFiles/Finite_diff.dir/ApplyAOperator.cpp.o
/u/system/bwjenkins/rmg-spp/src/Misc/IonIonEnergy_Ewald.cpp:141:29: warning: 'std::complex<double> structure_factor(double*)' defined but not used [-Wunused-function]
 static std::complex<double> structure_factor(double *k)
                             ^
[  8%] Building CXX object Misc/CMakeFiles/Misc.dir/InitPe4image.cpp.o
[  8%] Building CXX object Input/CMakeFiles/Input.dir/SetupGrids.cpp.o
/u/system/bwjenkins/rmg-spp/src/XC/vdw_correlation.cpp: In constructor 'Vdw::Vdw(BaseGrid&, Lattice&, TradeImages&, int, double*, double*, double&, double&, double*, bool)':
/u/system/bwjenkins/rmg-spp/src/XC/vdw_correlation.cpp:395:59: 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/src/XC/vdw_correlation.cpp:396:51: 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/src/XC/vdw_correlation.cpp:397:51: 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/src/XC/vdw_correlation.cpp:398:51: warning: 'calc_gz' may be used uninitialized in this function [-Wmaybe-uninitialized]
       GetVtotPsi (calc_gz, gz, G.default_FG_RATIO);
                                                   ^
[  8%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/EnergyCorrection.cpp.o
[ 10%] Building CXX object XC/CMakeFiles/XC1.dir/Functional.cpp.o
/u/system/bwjenkins/rmg-spp/src/Force/constrain.c: In function 'constrain':
/u/system/bwjenkins/rmg-spp/src/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];
                                                   ^
[ 10%] [ 10%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/BroydenPotential.cpp.o
[ 10%] Building C object Force/CMakeFiles/Force.dir/constrain.c.o
Building CXX object US_PP/CMakeFiles/US_PP.dir/Ylm.cpp.o
Linking CXX static library libRMG_Spin.a
[ 10%] Built target RMG_Spin
[ 12%] Building CXX object US_PP/CMakeFiles/US_PP.dir/CubicHarmonic.cpp.o
[ 12%] [ 12%] Building CXX object Force/CMakeFiles/Force.dir/Force.cpp.o
Building CXX object RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/Subdiag_Lapack.cpp.o
[ 12%] Building CXX object Finite_diff/CMakeFiles/Finite_diff.dir/ApplyBOperator.cpp.o
[ 12%] Building CXX object Misc/CMakeFiles/Misc.dir/InitPe4kpspin.cpp.o
[ 12%] Building CXX object Misc/CMakeFiles/Misc.dir/SharedMemory.cpp.o
[ 14%] Building CXX object RmgLib/CMakeFiles/RmgLib.dir/src/Lattice.cpp.o
[ 14%] Building CXX object RmgLib/CMakeFiles/RmgLib.dir/src/BaseThread.cpp.o
[ 14%] Building CXX object Input/CMakeFiles/Input.dir/GetPrimeFactors.cpp.o
/u/system/bwjenkins/rmg-spp/src/US_PP/CubicHarmonic.cpp: In function 'double CubicHarmonic(int, int, double*)':
/u/system/bwjenkins/rmg-spp/src/US_PP/CubicHarmonic.cpp:21:37: warning: unused variable 'm_spherical' [-Wunused-variable]
     double xymod, rmod, theta, phi, m_spherical;
                                     ^
Linking CXX static library libXC1.a
[ 14%] Built target XC1
[ 14%] Building CXX object Misc/CMakeFiles/Misc.dir/VhDriver.cpp.o
[ 14%] Building CXX object Misc/CMakeFiles/Misc.dir/Pw.cpp.o
[ 16%] [ 16%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/ApplyHamiltonian.cpp.o
Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/DavPreconditioner.cpp.o
[ 16%] Building CXX object RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/Subdiag_Magma.cpp.o
[ 16%] Building CXX object Finite_diff/CMakeFiles/Finite_diff.dir/AppCir.cpp.o
[ 18%] [ 18%] Building CXX object Force/CMakeFiles/Force.dir/IIforce.cpp.o
Building CXX object US_PP/CMakeFiles/US_PP.dir/InitWeight.cpp.o
/u/system/bwjenkins/rmg-spp/src/RmgLib/src/BaseThread.cpp: In constructor 'BaseThread::BaseThread(int)':
/u/system/bwjenkins/rmg-spp/src/RmgLib/src/BaseThread.cpp:67:9: warning: unused variable 'ncpus' [-Wunused-variable]
     int ncpus;
         ^
[ 18%] Building CXX object US_PP/CMakeFiles/US_PP.dir/InitWeightOne.cpp.o
[ 18%] Building CXX object US_PP/CMakeFiles/US_PP.dir/InitLocalForward.cpp.o
[ 18%] Building CXX object Input/CMakeFiles/Input.dir/ReadForces.cpp.o
[ 18%] Building CXX object RmgLib/CMakeFiles/RmgLib.dir/src/BaseGrid.cpp.o
[ 18%] Building CXX object RmgLib/CMakeFiles/RmgLib.dir/src/Mgrid.cpp.o
/u/system/bwjenkins/rmg-spp/src/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/src/US_PP/InitWeightOne.cpp:29:12: warning: unused variable 'r' [-Wunused-variable]
     double r, ax[3], bx[3];
            ^
/u/system/bwjenkins/rmg-spp/src/US_PP/InitWeightOne.cpp:29:22: warning: unused variable 'bx' [-Wunused-variable]
     double r, ax[3], bx[3];
                      ^
/u/system/bwjenkins/rmg-spp/src/US_PP/InitWeightOne.cpp:38:12: warning: unused variable 'xside' [-Wunused-variable]
     double xside = get_xside();
            ^
/u/system/bwjenkins/rmg-spp/src/US_PP/InitWeightOne.cpp:39:12: warning: unused variable 'yside' [-Wunused-variable]
     double yside = get_yside();
            ^
/u/system/bwjenkins/rmg-spp/src/US_PP/InitWeightOne.cpp:40:12: warning: unused variable 'zside' [-Wunused-variable]
     double zside = get_zside();
            ^
[ 20%] Building CXX object Misc/CMakeFiles/Misc.dir/PfftForward.cpp.o
[ 20%] Building CXX object Misc/CMakeFiles/Misc.dir/PfftInverse.cpp.o
[ 22%] Building CXX object RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/Subdiag_Scalapack.cpp.o
[ 24%] Building CXX object Finite_diff/CMakeFiles/Finite_diff.dir/AppCilrFourth.cpp.o
[ 24%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/ApplyHamiltonianBlock.cpp.o
[ 24%] Building CXX object Force/CMakeFiles/Force.dir/Nlccforce.cpp.o
[ 24%] Building CXX object Finite_diff/CMakeFiles/Finite_diff.dir/AppCilrSixth.cpp.o
[ 24%] Building CXX object Finite_diff/CMakeFiles/Finite_diff.dir/AppCilrDriver.cpp.o
[ 24%] Building CXX object US_PP/CMakeFiles/US_PP.dir/InitLocalBackward.cpp.o
/u/system/bwjenkins/rmg-spp/src/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/src/RMG/Subdiag/Subdiag_Scalapack.cpp:50:137:   required from here
/u/system/bwjenkins/rmg-spp/src/RMG/Subdiag/Subdiag_Scalapack.cpp:228:23: warning: unused variable 'range' [-Wunused-variable]
                 char *range = "a";
                       ^
/u/system/bwjenkins/rmg-spp/src/RMG/Subdiag/Subdiag_Scalapack.cpp:68:18: warning: unused variable 'trans_t' [-Wunused-variable]
     static char *trans_t = "t";
                  ^
/u/system/bwjenkins/rmg-spp/src/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/src/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/src/RMG/Subdiag/Subdiag_Scalapack.cpp:51:222:   required from here
/u/system/bwjenkins/rmg-spp/src/RMG/Subdiag/Subdiag_Scalapack.cpp:228:23: warning: unused variable 'range' [-Wunused-variable]
                 char *range = "a";
                       ^
/u/system/bwjenkins/rmg-spp/src/RMG/Subdiag/Subdiag_Scalapack.cpp:68:18: warning: unused variable 'trans_t' [-Wunused-variable]
     static char *trans_t = "t";
                  ^
/u/system/bwjenkins/rmg-spp/src/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/src/Input/ReadForces.cpp: In function 'void ReadForces(char*, CONTROL&, std::unordered_map<std::basic_string<char>, InputKey*>&)':
/u/system/bwjenkins/rmg-spp/src/Input/ReadForces.cpp:62:22: warning: comparison between signed and unsigned integer expressions [-Wsign-compare]
     if(Forces.size() != 4 * lc.num_ions) {
                      ^
[ 24%] Building CXX object US_PP/CMakeFiles/US_PP.dir/FindFftwPhaseLocalpp.cpp.o
[ 24%] Building CXX object Misc/CMakeFiles/Misc.dir/GeneralDiag.cpp.o
[ 24%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/Davidson.cpp.o
Linking CXX static library libForce.a
/u/system/bwjenkins/rmg-spp/src/US_PP/InitLocalBackward.cpp: In function 'void InitLocalBackward(double*, double*, double*)':
/u/system/bwjenkins/rmg-spp/src/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/src/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/src/US_PP/InitLocalBackward.cpp:43:12: warning: unused variable 'x' [-Wunused-variable]
     double x[3];
            ^
/u/system/bwjenkins/rmg-spp/src/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/src/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/src/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/src/US_PP/InitLocalBackward.cpp:53:9: warning: unused variable 'npes' [-Wunused-variable]
     int npes = get_PE_X() * get_PE_Y() * get_PE_Z();
         ^
[ 24%] Built target Force
[ 24%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/MgridSubspace.cpp.o
[ 24%] Building CXX object RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/FoldedSpectrum.cpp.o
[ 24%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/MolecularDynamics.cpp.o
In file included from /u/system/bwjenkins/rmg-spp/src/US_PP/InitLocalBackward.cpp:21:0:
/u/system/bwjenkins/rmg-spp/src/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/src/US_PP/InitLocalBackward.cpp:42:12: note: 'r' was declared here
     double r, Zv, rc, rc2, rcnorm, t1;
            ^
[ 26%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/GetAugRho.cpp.o
[ 26%] Building C object Finite_diff/CMakeFiles/Finite_diff.dir/app_cir_beta_fourth.c.o
[ 26%] Building C object Finite_diff/CMakeFiles/Finite_diff.dir/app_cir_fcc.c.o
[ 28%] Building CXX object Input/CMakeFiles/Input.dir/ReadVelocities.cpp.o
[ 28%] Building C object Finite_diff/CMakeFiles/Finite_diff.dir/app_cir_ortho.c.o
[ 30%] Building C object Finite_diff/CMakeFiles/Finite_diff.dir/app_cir_bcc.c.o
[ 30%] Building C object Finite_diff/CMakeFiles/Finite_diff.dir/app_cir_beta_sixth.c.o
[ 30%] Building CXX object RmgLib/CMakeFiles/RmgLib.dir/src/app_cir_driver.cpp.o
[ 30%] Building C object Finite_diff/CMakeFiles/Finite_diff.dir/app_cir_driver.c.o
[ 30%] Building CXX object Finite_diff/CMakeFiles/Finite_diff.dir/FiniteDiff_Cbindings.cpp.o
/u/system/bwjenkins/rmg-spp/src/Misc/GeneralDiag.cpp: In function 'int GeneralDiagScaLapack(double*, double*, double*, double*, int, int, int)':
/u/system/bwjenkins/rmg-spp/src/Misc/GeneralDiag.cpp:219:9: warning: unused variable 'scalapack_npes' [-Wunused-variable]
     int scalapack_npes = scalapack_nprow * scalapack_npcol;
         ^
/u/system/bwjenkins/rmg-spp/src/Misc/GeneralDiag.cpp:220:9: warning: unused variable 'root_npes' [-Wunused-variable]
     int root_npes = MainSp->GetRootNpes();
         ^
/u/system/bwjenkins/rmg-spp/src/Misc/GeneralDiag.cpp: In instantiation of 'int GeneralDiagLapack(KpointType*, KpointType*, double*, KpointType*, int, int, int) [with KpointType = double]':
/u/system/bwjenkins/rmg-spp/src/Misc/GeneralDiag.cpp:111:107:   required from here
/u/system/bwjenkins/rmg-spp/src/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/src/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/src/Misc/GeneralDiag.cpp:113:21:   required from here
/u/system/bwjenkins/rmg-spp/src/Misc/GeneralDiag.cpp:119:10: warning: unused variable 'use_folded' [-Wunused-variable]
/u/system/bwjenkins/rmg-spp/src/RMG/Subdiag/FoldedSpectrum.cpp: In instantiation of 'int FoldedSpectrum(BaseGrid*, int, KpointType*, int, KpointType*, int, double*, double*, int, int*, int, int) [with KpointType = double]':
/u/system/bwjenkins/rmg-spp/src/RMG/Subdiag/FoldedSpectrum.cpp:66:125:   required from here
/u/system/bwjenkins/rmg-spp/src/RMG/Subdiag/FoldedSpectrum.cpp:77:16: warning: unused variable 'ZERO_t' [-Wunused-variable]
     KpointType ZERO_t(0.0);
                ^
[ 32%] Building CXX object US_PP/CMakeFiles/US_PP.dir/Radius2grid.cpp.o
Linking CXX static library libInternalPseudo.a
[ 32%] Building CXX object US_PP/CMakeFiles/US_PP.dir/FindPhase.cpp.o
[ 32%] Built target InternalPseudo
[ 32%] Building CXX object US_PP/CMakeFiles/US_PP.dir/Atomic.cpp.o
[ 32%] Building CXX object Misc/CMakeFiles/Misc.dir/VhPfft.cpp.o
[ 32%] Building CXX object Misc/CMakeFiles/Misc.dir/Fft_Cbindings.cpp.o
[ 32%] Building CXX object RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/FoldedSpectrumScalapack.cpp.o
[ 32%] Building CXX object RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/FoldedSpectrumIterator.cpp.o
[ 32%] Building CXX object RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/FoldedSpectrumSetup.cpp.o
[ 32%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/MixRho.cpp.o
[ 32%] Building CXX object RmgLib/CMakeFiles/RmgLib.dir/src/app_cil_driver.cpp.o
/u/system/bwjenkins/rmg-spp/src/Input/ReadVelocities.cpp: In function 'void ReadVelocities(char*, CONTROL&, std::unordered_map<std::basic_string<char>, InputKey*>&)':
/u/system/bwjenkins/rmg-spp/src/Input/ReadVelocities.cpp:62:26: warning: comparison between signed and unsigned integer expressions [-Wsign-compare]
     if(Velocities.size() != lc.num_ions) {
                          ^
[ 32%] Building CXX object Finite_diff/CMakeFiles/Finite_diff.dir/app_cir_fcc.cpp.o
/u/system/bwjenkins/rmg-spp/src/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/src/RMG/Subdiag/FoldedSpectrumScalapack.cpp:73:150:   required from here
/u/system/bwjenkins/rmg-spp/src/RMG/Subdiag/FoldedSpectrumScalapack.cpp:82:15: warning: unused variable 'RT1' [-Wunused-variable]
     RmgTimer *RT1, *RT2;
               ^
/u/system/bwjenkins/rmg-spp/src/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/src/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/src/RMG/Subdiag/FoldedSpectrumScalapack.cpp:94:15: warning: unused variable 'Grid' [-Wunused-variable]
     BaseGrid *Grid = kptr->G;
               ^
/u/system/bwjenkins/rmg-spp/src/RMG/Subdiag/FoldedSpectrumScalapack.cpp:95:14: warning: unused variable 'L' [-Wunused-variable]
     Lattice *L = kptr->L;
              ^
/u/system/bwjenkins/rmg-spp/src/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/src/RMG/Subdiag/FoldedSpectrumScalapack.cpp:111:14: warning: unused variable 'scalapack_comm' [-Wunused-variable]
     MPI_Comm scalapack_comm = FSp->GetComm();
              ^
/u/system/bwjenkins/rmg-spp/src/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);
         ^
/u/system/bwjenkins/rmg-spp/src/RMG/Subdiag/FoldedSpectrumIterator.cpp: In function 'void FoldedSpectrumIterator(double*, int, double*, int, double*, double, int, int)':
/u/system/bwjenkins/rmg-spp/src/RMG/Subdiag/FoldedSpectrumIterator.cpp:59:9: warning: unused variable 'ione' [-Wunused-variable]
     int ione = 1;
         ^
/u/system/bwjenkins/rmg-spp/src/RMG/Subdiag/FoldedSpectrumIterator.cpp:65:9: warning: unused variable 'sizr' [-Wunused-variable]
     int sizr = n * k;
         ^
/u/system/bwjenkins/rmg-spp/src/RMG/Subdiag/FoldedSpectrumIterator.cpp:68:13: warning: unused variable 'Tgpu' [-Wunused-variable]
     double *Tgpu = NULL;
             ^
/u/system/bwjenkins/rmg-spp/src/RMG/Subdiag/FoldedSpectrumIterator.cpp:69:13: warning: unused variable 'eigs_gpu' [-Wunused-variable]
     double *eigs_gpu = NULL;
             ^
/u/system/bwjenkins/rmg-spp/src/US_PP/Atomic.cpp: In member function 'void Atomic::InitBessel(double*, int, int, double*)':
/u/system/bwjenkins/rmg-spp/src/US_PP/Atomic.cpp:592:9: warning: unused variable 'istep' [-Wunused-variable]
     int istep;
         ^
/u/system/bwjenkins/rmg-spp/src/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();
         ^
[ 34%] Building CXX object RmgLib/CMakeFiles/RmgLib.dir/src/app_cil_driver_threaded.cpp.o
[ 34%] Building CXX object RmgLib/CMakeFiles/RmgLib.dir/src/app_grad_driver.cpp.o
[ 34%] Building CXX object RmgLib/CMakeFiles/RmgLib.dir/src/app_del2_driver.cpp.o
[ 34%] Building CXX object Misc/CMakeFiles/Misc.dir/GetVtotPsi.cpp.o
[ 34%] Building CXX object RmgLib/CMakeFiles/RmgLib.dir/src/FiniteDiff.cpp.o
[ 34%] Building CXX object RmgLib/CMakeFiles/RmgLib.dir/src/RmgTimer.cpp.o
[ 34%] [ 34%] Building CXX object Input/CMakeFiles/Input.dir/ReadInit.cpp.o
Building CXX object RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/Rmg_dsygvd_gpu.cpp.o
[ 34%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/WriteData.cpp.o
[ 34%] Building CXX object Finite_diff/CMakeFiles/Finite_diff.dir/app_cir_bcc.cpp.o
[ 36%] Building C object Finite_diff/CMakeFiles/Finite_diff.dir/app_grad.c.o
[ 36%] Building CXX object Input/CMakeFiles/Input.dir/ReadRmgAtoms.cpp.o
[ 36%] Building CXX object Input/CMakeFiles/Input.dir/ReadDynamics.cpp.o
[ 36%] Building CXX object Input/CMakeFiles/Input.dir/ReadKpoints.cpp.o
[ 36%] Building CXX object US_PP/CMakeFiles/US_PP.dir/Atomic_Cbindings.cpp.o
[ 36%] Building CXX object US_PP/CMakeFiles/US_PP.dir/InitPseudo.cpp.o
[ 38%] Building CXX object Misc/CMakeFiles/Misc.dir/FftInitPlans.cpp.o
[ 38%] Building CXX object Misc/CMakeFiles/Misc.dir/FftFreqBin.cpp.o
[ 40%] Building CXX object RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/Rmg_zhegvd_gpu.cpp.o
[ 40%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/WriteBGW_Wfng.cpp.o
[ 40%] Building C object Finite_diff/CMakeFiles/Finite_diff.dir/app6_del2.c.o
Linking CXX static library libFinite_diff.a
[ 40%] Built target Finite_diff
[ 40%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/WriteBGW_Rhog.cpp.o
[ 40%] Building CXX object Input/CMakeFiles/Input.dir/ReadKpointsBandstructure.cpp.o
[ 40%] Building CXX object US_PP/CMakeFiles/US_PP.dir/InitQfunct.cpp.o
[ 42%] Building CXX object Input/CMakeFiles/Input.dir/Verify.cpp.o
[ 42%] Building CXX object Input/CMakeFiles/Input.dir/InputKey.cpp.o
[ 42%] Building CXX object Misc/CMakeFiles/Misc.dir/FftFilter.cpp.o
/u/system/bwjenkins/rmg-spp/src/RMG/Common/WriteBGW_Rhog.cpp: In function 'void WriteBGW_Rhog(double*, double*)':
/u/system/bwjenkins/rmg-spp/src/RMG/Common/WriteBGW_Rhog.cpp:71:21: warning: variable 'ecutwfc' set but not used [-Wunused-but-set-variable]
     double ecutrho, ecutwfc, at[9], adot[9], bg[9], bdot[9]; 
                     ^
/u/system/bwjenkins/rmg-spp/src/RMG/Common/WriteBGW_Wfng.cpp: In function 'void WriteBGW_Wfng(int, Kpoint<StateType>*) [with KpointType = std::complex<double>]':
/u/system/bwjenkins/rmg-spp/src/RMG/Common/WriteBGW_Wfng.cpp:501:13: warning: 'fhand' may be used uninitialized in this function [-Wmaybe-uninitialized]
             write(fhand, wfng, sizeof(std::complex<double>) * num_pw_wfc);
             ^
[ 42%] Building CXX object Input/CMakeFiles/Input.dir/CheckValue.cpp.o
[ 42%] Building CXX object Misc/CMakeFiles/Misc.dir/FftLaplacian.cpp.o
[ 42%] Building CXX object Misc/CMakeFiles/Misc.dir/FftGradient.cpp.o
[ 42%] Building CXX object RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/FoldedSpectrumGSE.cpp.o
/u/system/bwjenkins/rmg-spp/src/RMG/Common/WriteBGW_Wfng.cpp: In function 'void WriteBGW_Wfng(int, Kpoint<StateType>*) [with KpointType = double]':
/u/system/bwjenkins/rmg-spp/src/RMG/Common/WriteBGW_Wfng.cpp:501:13: warning: 'fhand' may be used uninitialized in this function [-Wmaybe-uninitialized]
[ 42%] Building CXX object RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/FoldedSpectrumScalapackGSE.cpp.o
[ 42%] Building CXX object RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/FoldedSpectrumOrtho.cpp.o
[ 42%] Building CXX object Input/CMakeFiles/Input.dir/RmgInputFile.cpp.o
[ 42%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/WriteBGW_VxcEig.cpp.o
[ 44%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/WriteRestart.cpp.o
/u/system/bwjenkins/rmg-spp/src/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/src/RMG/Subdiag/FoldedSpectrumGSE.cpp:61:121:   required from here
/u/system/bwjenkins/rmg-spp/src/RMG/Subdiag/FoldedSpectrumGSE.cpp:77:11: warning: unused variable 'trans_t' [-Wunused-variable]
     char *trans_t = "t";
           ^
/u/system/bwjenkins/rmg-spp/src/RMG/Subdiag/FoldedSpectrumGSE.cpp:78:10: warning: unused variable 'usecuxt' [-Wunused-variable]
     bool usecuxt = true;
          ^
/u/system/bwjenkins/rmg-spp/src/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/src/RMG/Subdiag/FoldedSpectrumScalapackGSE.cpp:62:132:   required from here
/u/system/bwjenkins/rmg-spp/src/RMG/Subdiag/FoldedSpectrumScalapackGSE.cpp:81:11: warning: unused variable 'trans_t' [-Wunused-variable]
     char *trans_t = "t";
           ^
/u/system/bwjenkins/rmg-spp/src/RMG/Subdiag/FoldedSpectrumScalapackGSE.cpp:85:9: warning: unused variable 'THIS_PE' [-Wunused-variable]
     int THIS_PE = FSp->GetGroupIndex();
         ^
/u/system/bwjenkins/rmg-spp/src/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/src/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/src/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/src/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);
         ^
/u/system/bwjenkins/rmg-spp/src/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/src/RMG/Subdiag/FoldedSpectrumOrtho.cpp:57:108:   required from here
/u/system/bwjenkins/rmg-spp/src/RMG/Subdiag/FoldedSpectrumOrtho.cpp:64:12: warning: unused variable 'rzero' [-Wunused-variable]
     double rzero = 0.0;
            ^
/u/system/bwjenkins/rmg-spp/src/RMG/Subdiag/FoldedSpectrumOrtho.cpp:65:12: warning: unused variable 'rone' [-Wunused-variable]
     double rone = 1.0;
            ^
/u/system/bwjenkins/rmg-spp/src/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/src/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/src/RMG/Subdiag/FoldedSpectrumOrtho.cpp:142:13: warning: variable 'st1' set but not used [-Wunused-but-set-variable]
     int st, st1;
             ^
[ 46%] Building CXX object US_PP/CMakeFiles/US_PP.dir/InitLocalObject.cpp.o
[ 46%] Building CXX object US_PP/CMakeFiles/US_PP.dir/US_Cbindings.cpp.o
[ 46%] Building C object US_PP/CMakeFiles/US_PP.dir/lcao_get_rho.c.o
[ 46%] Building CXX object Misc/CMakeFiles/Misc.dir/FftInterpolation.cpp.o
[ 48%] Building CXX object Misc/CMakeFiles/Misc.dir/FftRestrict.cpp.o
[ 48%] Building C object US_PP/CMakeFiles/US_PP.dir/init_efield.c.o
[ 48%] Building C object US_PP/CMakeFiles/US_PP.dir/weight_shift_center.c.o
[ 48%] Building CXX object RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/FoldedSpectrumScalapackOrtho.cpp.o
[ 48%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/LcaoGetAwave.cpp.o
[ 48%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/LcaoGetPsi.cpp.o
[ 48%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/ReadData.cpp.o
[ 48%] Building CXX object Input/CMakeFiles/Input.dir/ReadCommon.cpp.o
[ 48%] Building CXX object Input/CMakeFiles/Input.dir/MapElements.cpp.o
[ 48%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/OutputBandPlot.cpp.o
/u/system/bwjenkins/rmg-spp/src/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/src/RMG/Subdiag/FoldedSpectrumScalapackOrtho.cpp:57:143:   required from here
/u/system/bwjenkins/rmg-spp/src/RMG/Subdiag/FoldedSpectrumScalapackOrtho.cpp:65:17: warning: unused variable 'NULLptr' [-Wunused-variable]
     KpointType *NULLptr = NULL;
                 ^
/u/system/bwjenkins/rmg-spp/src/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/src/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/src/RMG/Subdiag/FoldedSpectrumScalapackOrtho.cpp:103:9: warning: unused variable 'FSp_context' [-Wunused-variable]
     int FSp_context = FSp->GetContext();
         ^
/u/system/bwjenkins/rmg-spp/src/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/src/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/src/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/src/Input/RmgInputFile.cpp: In member function 'void RmgInputFile::PreprocessInputFile(char*, MPI_Comm)':
/u/system/bwjenkins/rmg-spp/src/Input/RmgInputFile.cpp:335:42: warning: 'input_buffer' may be used uninitialized in this function [-Wmaybe-uninitialized]
     std::string input_string(input_buffer);
                                          ^
[ 48%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/AppCirDriverBeta.cpp.o
[ 48%] Building CXX object RmgLib/CMakeFiles/RmgLib.dir/src/RmgPrintTimings.cpp.o
[ 48%] Building C object US_PP/CMakeFiles/US_PP.dir/ylmr2.c.o
[ 51%] Building C object US_PP/CMakeFiles/US_PP.dir/linint.c.o
[ 51%] Building C object US_PP/CMakeFiles/US_PP.dir/get_QnmL.c.o
[ 51%] [ 51%] Building C object US_PP/CMakeFiles/US_PP.dir/radiff.c.o
Building C object US_PP/CMakeFiles/US_PP.dir/ylm.c.o
[ 51%] Building CXX object Misc/CMakeFiles/Misc.dir/CountAtomicOrbitals.cpp.o
[ 53%] [ 53%] Building CXX object RmgLib/CMakeFiles/RmgLib.dir/src/RmgSumAll.cpp.o
Building CXX object US_PP/CMakeFiles/US_PP.dir/GetQI.cpp.o
Linking CXX static library libRMG_Subdiag.a
[ 53%] Building CXX object RmgLib/CMakeFiles/RmgLib.dir/src/RmgMaxAll.cpp.o
[ 53%] Building CXX object RmgLib/CMakeFiles/RmgLib.dir/src/rmg_error.cpp.o
[ 53%] Built target RMG_Subdiag
[ 53%] Building CXX object RmgLib/CMakeFiles/RmgLib.dir/src/get_vh.cpp.o
[ 53%] Building CXX object RmgLib/CMakeFiles/RmgLib.dir/src/packfuncs.cpp.o
[ 53%] Building CXX object Misc/CMakeFiles/Misc.dir/FilenameIncrement.cpp.o
[ 53%] Building CXX object Misc/CMakeFiles/Misc.dir/Scalapack.cpp.o
/u/system/bwjenkins/rmg-spp/src/RMG/Common/OutputBandPlot.cpp: In instantiation of 'void OutputBandPlot(Kpoint<StateType>**) [with KpointType = double]':
/u/system/bwjenkins/rmg-spp/src/RMG/Common/OutputBandPlot.cpp:51:47:   required from here
/u/system/bwjenkins/rmg-spp/src/RMG/Common/OutputBandPlot.cpp:142:19: warning: unused variable 'line_object' [-Wunused-variable]
             char *line_object;
                   ^
/u/system/bwjenkins/rmg-spp/src/RMG/Common/OutputBandPlot.cpp:59:30: warning: unused variable 'pngfile' [-Wunused-variable]
     char filename[MAX_PATH], pngfile[MAX_PATH];
                              ^
/u/system/bwjenkins/rmg-spp/src/RMG/Common/OutputBandPlot.cpp: In instantiation of 'void OutputBandPlot(Kpoint<StateType>**) [with KpointType = std::complex<double>]':
/u/system/bwjenkins/rmg-spp/src/RMG/Common/OutputBandPlot.cpp:52:62:   required from here
/u/system/bwjenkins/rmg-spp/src/RMG/Common/OutputBandPlot.cpp:142:19: warning: unused variable 'line_object' [-Wunused-variable]
             char *line_object;
                   ^
/u/system/bwjenkins/rmg-spp/src/RMG/Common/OutputBandPlot.cpp:59:30: warning: unused variable 'pngfile' [-Wunused-variable]
     char filename[MAX_PATH], pngfile[MAX_PATH];
                              ^
/u/system/bwjenkins/rmg-spp/src/Misc/open_restart_file.c: In function 'open_restart_file':
/u/system/bwjenkins/rmg-spp/src/Misc/open_restart_file.c:67:5: warning: suggest explicit braces to avoid ambiguous 'else' [-Wparentheses]
  if (!mkdir (dirname (tmpname), S_IRWXU))
     ^
/u/system/bwjenkins/rmg-spp/src/Misc/Scalapack.cpp: In constructor 'Scalapack::Scalapack(int, int, int, int, int, int, MPI_Comm)':
/u/system/bwjenkins/rmg-spp/src/Misc/Scalapack.cpp:115:9: warning: unused variable 'item' [-Wunused-variable]
     int item = thisimg % images_per_node;
         ^
[ 53%] Building C object Misc/CMakeFiles/Misc.dir/open_restart_file.c.o
[ 53%] Building C object US_PP/CMakeFiles/US_PP.dir/get_qqq.c.o
[ 55%] Building CXX object Input/CMakeFiles/Input.dir/Upf.cpp.o
/u/system/bwjenkins/rmg-spp/src/RmgLib/src/RmgPrintTimings.cpp: In function 'void RmgPrintTimings(MPI_Comm, const char*, int, int)':
/u/system/bwjenkins/rmg-spp/src/RmgLib/src/RmgPrintTimings.cpp:21:12: warning: unused variable 'time1' [-Wunused-variable]
     double time1, time2;
            ^
/u/system/bwjenkins/rmg-spp/src/RmgLib/src/RmgPrintTimings.cpp:21:19: warning: unused variable 'time2' [-Wunused-variable]
     double time1, time2;
                   ^
[ 57%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/AssignWeight.cpp.o
[ 57%] Building CXX object Misc/CMakeFiles/Misc.dir/cnpy.cpp.o
[ 59%] Building CXX object Misc/CMakeFiles/Misc.dir/LinePlot.cpp.o
[ 59%] [ 59%] Building C object Misc/CMakeFiles/Misc.dir/prime_factors.c.o
Building CXX object Input/CMakeFiles/Input.dir/ReadPseudo.cpp.o
[ 59%] Building CXX object Input/CMakeFiles/Input.dir/ReadTFAtoms.cpp.o
[ 61%] Building C object US_PP/CMakeFiles/US_PP.dir/radint1.c.o
/u/system/bwjenkins/rmg-spp/src/US_PP/pack_gftoc.c: In function 'pack_gftoc':
/u/system/bwjenkins/rmg-spp/src/US_PP/pack_gftoc.c:24:9: warning: variable 'ixstart' set but not used [-Wunused-but-set-variable]
     int ixstart = -(nlxdim )/2;
         ^
[ 61%] [ 61%] [ 61%] Building C object US_PP/CMakeFiles/US_PP.dir/get_ddd.c.o
Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/GetWeight.cpp.o
Building C object US_PP/CMakeFiles/US_PP.dir/radint.c.o
[ 61%] Building C object US_PP/CMakeFiles/US_PP.dir/pack_gftoc.c.o
[ 61%] [ 61%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/GetWeightLocal.cpp.o
Building CXX object Misc/CMakeFiles/Misc.dir/InitIo.cpp.o
[ 61%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/GetNlop.cpp.o
[ 61%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/ReinitIonicPotentials.cpp.o
Linking CXX static library libUS_PP.a
Linking CXX static library libRmgLib.a
[ 61%] Built target US_PP
[ 61%] Building CXX object Misc/CMakeFiles/Misc.dir/Output_rho_xsf.cpp.o
[ 61%] Built target RmgLib
[ 61%] Building CXX object Misc/CMakeFiles/Misc.dir/InitHybridModel.cpp.o
[ 61%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/transition_rmg.cpp.o
[ 61%] Building CXX object Misc/CMakeFiles/Misc.dir/Fill.cpp.o
/u/system/bwjenkins/rmg-spp/src/Misc/InitIo.cpp: In function 'void InitIo(int, char**, std::unordered_map<std::basic_string<char>, InputKey*>&)':
/u/system/bwjenkins/rmg-spp/src/Misc/InitIo.cpp:96:12: warning: variable 'timer' set but not used [-Wunused-but-set-variable]
     time_t timer;
            ^
/u/system/bwjenkins/rmg-spp/src/Misc/Output_rho_xsf.cpp: In function 'void Output_rho_xsf(double*, MPI_Comm)':
/u/system/bwjenkins/rmg-spp/src/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/src/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/src/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/src/Misc/Output_rho_xsf.cpp:10:0:
/u/system/bwjenkins/rmg-spp/src/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/src/Misc/Output_rho_xsf.cpp:176:56:   required from here
/u/system/bwjenkins/rmg-spp/src/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/src/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/src/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/src/Misc/Output_rho_xsf.cpp:176:56:   required from here
/u/system/bwjenkins/rmg-spp/src/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/src/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/src/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/src/Misc/Output_rho_xsf.cpp:176:56:   required from here
/u/system/bwjenkins/rmg-spp/src/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/src/Headers/cnpy.h: In instantiation of 'std::vector<char>& cnpy::operator+=(std::vector<char>&, T) [with T = unsigned int]':
/u/system/bwjenkins/rmg-spp/src/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/src/Misc/Output_rho_xsf.cpp:176:56:   required from here
/u/system/bwjenkins/rmg-spp/src/Headers/cnpy.h:49:33: warning: comparison between signed and unsigned integer expressions [-Wsign-compare]
/u/system/bwjenkins/rmg-spp/src/Headers/cnpy.h: In instantiation of 'std::vector<char>& cnpy::operator+=(std::vector<char>&, T) [with T = char]':
/u/system/bwjenkins/rmg-spp/src/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/src/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/src/Misc/Output_rho_xsf.cpp:176:56:   required from here
/u/system/bwjenkins/rmg-spp/src/Headers/cnpy.h:49:33: warning: comparison between signed and unsigned integer expressions [-Wsign-compare]
/u/system/bwjenkins/rmg-spp/src/RMG/Common/GetNlop.cpp: In function '<built-in>':
/u/system/bwjenkins/rmg-spp/src/RMG/Common/GetNlop.cpp:100:9: warning: 'dvec' may be used uninitialized in this function [-Wmaybe-uninitialized]
 #pragma omp parallel for schedule(static, 1) num_threads(nthreads)
         ^
/u/system/bwjenkins/rmg-spp/src/RMG/Common/GetNlop.cpp:48:17: note: 'dvec' was declared here
     int *pvec, *dvec=NULL;
                 ^
/u/system/bwjenkins/rmg-spp/src/RMG/Common/GetNlop.cpp: In function '<built-in>':
/u/system/bwjenkins/rmg-spp/src/RMG/Common/GetNlop.cpp:100:9: warning: 'dvec' may be used uninitialized in this function [-Wmaybe-uninitialized]
 #pragma omp parallel for schedule(static, 1) num_threads(nthreads)
         ^
/u/system/bwjenkins/rmg-spp/src/RMG/Common/GetNlop.cpp:48:17: note: 'dvec' was declared here
     int *pvec, *dvec=NULL;
                 ^
/u/system/bwjenkins/rmg-spp/src/Misc/init_kpoints.c: In function 'init_kpoints':
/u/system/bwjenkins/rmg-spp/src/Misc/init_kpoints.c:110:31: 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/src/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,
     ^
/u/system/bwjenkins/rmg-spp/src/Misc/Fill.cpp: In function 'double occ_allstates(double, double*, double*, double, double, int, double*, int, int)':
/u/system/bwjenkins/rmg-spp/src/Misc/Fill.cpp:232:16: warning: unused variable 't2' [-Wunused-variable]
     double t1, t2, sumf, eig, fac = (2.0 - ct.spin_flag);
                ^
/u/system/bwjenkins/rmg-spp/src/Misc/Fill.cpp: In instantiation of 'double Fill(Kpoint<StateType>**, double, double, double, int, int, int) [with KpointType = double]':
/u/system/bwjenkins/rmg-spp/src/Misc/Fill.cpp:65:79:   required from here
/u/system/bwjenkins/rmg-spp/src/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/src/Misc/Fill.cpp:78:40: warning: unused variable 'eig' [-Wunused-variable]
     double mu, dmu, mu1, mu2, f, fmid, eig;
                                        ^
/u/system/bwjenkins/rmg-spp/src/Misc/Fill.cpp: In instantiation of 'double Fill(Kpoint<StateType>**, double, double, double, int, int, int) [with KpointType = std::complex<double>]':
/u/system/bwjenkins/rmg-spp/src/Misc/Fill.cpp:66:94:   required from here
/u/system/bwjenkins/rmg-spp/src/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/src/Misc/Fill.cpp:78:40: warning: unused variable 'eig' [-Wunused-variable]
     double mu, dmu, mu1, mu2, f, fmid, eig;
                                        ^
[ 63%] Building CXX object Misc/CMakeFiles/Misc.dir/GetTe.cpp.o
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Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/PotentialAcceleration.cpp.o
[ 65%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/GetNewRho.cpp.o
/u/system/bwjenkins/rmg-spp/src/Misc/Fill.cpp: In function 'double dist_func(double, int, int)':
/u/system/bwjenkins/rmg-spp/src/Misc/Fill.cpp:342:1: warning: control reaches end of non-void function [-Wreturn-type]
 }
 ^
[ 65%] Building CXX object Misc/CMakeFiles/Misc.dir/RmgCudaError.cpp.o
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Built target Input
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/u/system/bwjenkins/rmg-spp/src/Misc/GetTe.cpp: In instantiation of 'void GetTe(double*, double*, double*, double*, double*, double*, Kpoint<StateType>**, int) [with KpointType = double]':
/u/system/bwjenkins/rmg-spp/src/Misc/GetTe.cpp:74:104:   required from here
/u/system/bwjenkins/rmg-spp/src/Misc/GetTe.cpp:80:26: warning: unused variable 'i' [-Wunused-variable]
     int state, kpt, idx, i, j, nspin = (ct.spin_flag + 1), FP0_BASIS;
                          ^
/u/system/bwjenkins/rmg-spp/src/Misc/GetTe.cpp:80:29: warning: unused variable 'j' [-Wunused-variable]
     int state, kpt, idx, i, j, nspin = (ct.spin_flag + 1), FP0_BASIS;
                             ^
/u/system/bwjenkins/rmg-spp/src/Misc/GetTe.cpp:81:12: warning: unused variable 'r' [-Wunused-variable]
     double r, esum[3], t1, eigsum, xcstate, xtal_r[3], mag, absmag = 0.0;
            ^
/u/system/bwjenkins/rmg-spp/src/Misc/GetTe.cpp:81:45: warning: unused variable 'xtal_r' [-Wunused-variable]
     double r, esum[3], t1, eigsum, xcstate, xtal_r[3], mag, absmag = 0.0;
                                             ^
/u/system/bwjenkins/rmg-spp/src/Misc/GetTe.cpp:82:17: warning: unused variable 'loc_sum' [-Wunused-variable]
     double vel, loc_sum;
                 ^
/u/system/bwjenkins/rmg-spp/src/Misc/GetTe.cpp:84:10: warning: unused variable 'iptr1' [-Wunused-variable]
     ION *iptr1, *iptr2;
          ^
/u/system/bwjenkins/rmg-spp/src/Misc/GetTe.cpp:84:18: warning: unused variable 'iptr2' [-Wunused-variable]
     ION *iptr1, *iptr2;
                  ^
/u/system/bwjenkins/rmg-spp/src/Misc/GetTe.cpp: In instantiation of 'void GetTe(double*, double*, double*, double*, double*, double*, Kpoint<StateType>**, int) [with KpointType = std::complex<double>]':
/u/system/bwjenkins/rmg-spp/src/Misc/GetTe.cpp:75:119:   required from here
/u/system/bwjenkins/rmg-spp/src/Misc/GetTe.cpp:80:26: warning: unused variable 'i' [-Wunused-variable]
     int state, kpt, idx, i, j, nspin = (ct.spin_flag + 1), FP0_BASIS;
                          ^
/u/system/bwjenkins/rmg-spp/src/Misc/GetTe.cpp:80:29: warning: unused variable 'j' [-Wunused-variable]
     int state, kpt, idx, i, j, nspin = (ct.spin_flag + 1), FP0_BASIS;
                             ^
/u/system/bwjenkins/rmg-spp/src/Misc/GetTe.cpp:81:12: warning: unused variable 'r' [-Wunused-variable]
     double r, esum[3], t1, eigsum, xcstate, xtal_r[3], mag, absmag = 0.0;
            ^
/u/system/bwjenkins/rmg-spp/src/Misc/GetTe.cpp:81:45: warning: unused variable 'xtal_r' [-Wunused-variable]
     double r, esum[3], t1, eigsum, xcstate, xtal_r[3], mag, absmag = 0.0;
                                             ^
/u/system/bwjenkins/rmg-spp/src/Misc/GetTe.cpp:82:17: warning: unused variable 'loc_sum' [-Wunused-variable]
     double vel, loc_sum;
                 ^
/u/system/bwjenkins/rmg-spp/src/Misc/GetTe.cpp:84:10: warning: unused variable 'iptr1' [-Wunused-variable]
     ION *iptr1, *iptr2;
          ^
/u/system/bwjenkins/rmg-spp/src/Misc/GetTe.cpp:84:18: warning: unused variable 'iptr2' [-Wunused-variable]
     ION *iptr1, *iptr2;
                  ^
[ 67%] Building CXX object Misc/CMakeFiles/Misc.dir/GpuAlloc.cpp.o
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[ 69%] Building CXX object Misc/CMakeFiles/Misc.dir/GlobalSums_Cbindings.cpp.o
/u/system/bwjenkins/rmg-spp/src/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/src/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/src/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/src/RMG/Common/Relax.cpp:146:9: warning: 'CONV_FORCE' may be used uninitialized in this function [-Wmaybe-uninitialized]
[ 69%] Building CXX object Misc/CMakeFiles/Misc.dir/BaseThread_Cbindings.cpp.o
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/u/system/bwjenkins/rmg-spp/src/RMG/Common/scalapack_tools.c: In function 'matsum_packbuffer':
/u/system/bwjenkins/rmg-spp/src/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;
                                                        ^
[ 77%] Building C object Misc/CMakeFiles/Misc.dir/init_pestr.c.o
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/u/system/bwjenkins/rmg-spp/src/RMG/Common/getpoi_bc.c: In function 'getpoi_bc':
/u/system/bwjenkins/rmg-spp/src/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;
            ^
/u/system/bwjenkins/rmg-spp/src/RMG/Common/nlforce_par_gamma.c: In function 'nlforce_par_gamma':
/u/system/bwjenkins/rmg-spp/src/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/src/Misc/get_te.c: In function 'get_te':
/u/system/bwjenkins/rmg-spp/src/Misc/get_te.c:75:26: warning: 'nrho_oppo' may be used uninitialized in this function [-Wmaybe-uninitialized]
     double *exc, *nrho, *nrho_oppo;
                          ^
[ 77%] Building C object Misc/CMakeFiles/Misc.dir/get_index.c.o
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[ 85%] [ 85%] Building C object RMG/Common/CMakeFiles/RMG_Common.dir/write_avgd.c.o
Building C object RMG/Common/CMakeFiles/RMG_Common.dir/bsplines.c.o
/u/system/bwjenkins/rmg-spp/src/RMG/Common/bsplines.c: In function 'dbsint':
/u/system/bwjenkins/rmg-spp/src/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/src/RMG/Common/bsplines.c: In function 'spli2d':
/u/system/bwjenkins/rmg-spp/src/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/src/RMG/Common/bsplines.c: In function 'spli3d':
/u/system/bwjenkins/rmg-spp/src/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/src/RMG/Common/bsplines.c: At top level:
/u/system/bwjenkins/rmg-spp/src/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,
               ^
/u/system/bwjenkins/rmg-spp/src/Misc/rmg_alloc.c: In function 'rmg_malloc':
/u/system/bwjenkins/rmg-spp/src/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/src/Misc/rmg_alloc.c: In function 'rmg_malloc_init':
/u/system/bwjenkins/rmg-spp/src/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/src/Misc/rmg_alloc.c: In function 'rmg_calloc':
/u/system/bwjenkins/rmg-spp/src/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/src/Misc/rmg_alloc.c: In function 'rmg_alloc_initialize':
/u/system/bwjenkins/rmg-spp/src/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/src/Misc/remap_3d.c: In function 'remap_3d_create_plan':
/u/system/bwjenkins/rmg-spp/src/Misc/remap_3d.c:150:12: warning: unused variable 'newcomm' [-Wunused-variable]
   MPI_Comm newcomm;
            ^
[ 85%] Building C object RMG/Common/CMakeFiles/RMG_Common.dir/claim_ion.c.o
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/u/system/bwjenkins/rmg-spp/src/RMG/Common/nlforce_par_Q.c:35:12: warning: unused variable 'tmp' [-Wunused-variable]
     double tmp;
            ^
/u/system/bwjenkins/rmg-spp/src/RMG/Common/nlforce_par_Q.c:33:9: warning: unused variable 'idx1' [-Wunused-variable]
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         ^
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[ 93%] Building C object RMG/Common/CMakeFiles/RMG_Common.dir/nlforce_par_Q.c.o
[ 93%] 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%] Building C object RMG/Common/CMakeFiles/RMG_Common.dir/move_ions.c.o
[ 95%] Building C object RMG/Common/CMakeFiles/RMG_Common.dir/ranv.c.o
[ 95%] Building C object RMG/Common/CMakeFiles/RMG_Common.dir/print_density_z_direction.c.o
/u/system/bwjenkins/rmg-spp/src/RMG/Common/print_density_z_direction.c: In function 'print_density_z_direction':
/u/system/bwjenkins/rmg-spp/src/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/src/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;
                                 ^
/u/system/bwjenkins/rmg-spp/src/RMG/Common/pulay_rho.c: In function 'pulay_rho':
/u/system/bwjenkins/rmg-spp/src/RMG/Common/pulay_rho.c:68:12: warning: unused variable 'work' [-Wunused-variable]
     double work[MAX_STEPS*20];
            ^
/u/system/bwjenkins/rmg-spp/src/RMG/Common/pulay_rho.c:67:9: warning: unused variable 'lwork' [-Wunused-variable]
     int lwork = MAX_STEPS*20;
         ^
/u/system/bwjenkins/rmg-spp/src/RMG/Common/fire.c: In function 'fire':
/u/system/bwjenkins/rmg-spp/src/RMG/Common/fire.c:136:2: warning: value computed is not used [-Wunused-value]
  *n_count ++;
  ^
/u/system/bwjenkins/rmg-spp/src/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); 
    ^
[ 95%] 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
[ 97%] Building C object RMG/Common/CMakeFiles/RMG_Common.dir/partial_beta_fdiff.c.o
/u/system/bwjenkins/rmg-spp/src/Misc/Vdd.cpp: In function 'void Vdd(double*)':
/u/system/bwjenkins/rmg-spp/src/Misc/Vdd.cpp:32:14: warning: unused variable 'sp' [-Wunused-variable]
     SPECIES *sp;
              ^
/u/system/bwjenkins/rmg-spp/src/Misc/Vdd.cpp:382:12: warning: 'recv_request' may be used uninitialized in this function [-Wmaybe-uninitialized]
  delete [] recv_request;
            ^
/u/system/bwjenkins/rmg-spp/src/Misc/Vdd.cpp:381:12: warning: 'loc_array_recv' may be used uninitialized in this function [-Wmaybe-uninitialized]
  delete [] loc_array_recv;
            ^
/u/system/bwjenkins/rmg-spp/src/Misc/Vdd.cpp:380:12: warning: 'rel_index_recv' may be used uninitialized in this function [-Wmaybe-uninitialized]
  delete [] rel_index_recv;
            ^
/u/system/bwjenkins/rmg-spp/src/Misc/Vdd.cpp:228:7: warning: 'min_ion' may be used uninitialized in this function [-Wmaybe-uninitialized]
       if (rel_index[i] == min_ion)
       ^
Linking CXX static library libMisc.a
Linking CXX static library libRMG_Common.a
[ 97%] Built target Misc
[ 97%] Built target RMG_Common
Linking CXX executable rmg-cpu

rm -rf /u/system/bwjenkins/scratch/rmg-spp
[100%] Built target rmg-cpu
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/src/rmg-cpu ./
cat run.pbs | sed -e "s/aprun/time aprun/g"  > myrun.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
     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 $PBS_O_WORKDIR
    14	
    15	export MPICH_MAX_THREAD_SAFETY=serialized
    16	export OMP_WAIT_POLICY=passive
    17	export MPICH_ENV_DISPLAY=1
    18	ulimit -a
    19	export MPICH_GNI_MBOX_PLACEMENT=nic
    20	export MPICH_GNI_RDMA_THRESHOLD=1024
    21	export MPICH_GNI_NUM_BUFS=512
    22	export MPICH_GNI_MAX_EAGER_MSG_SIZE=65536
    23	
    24	export OMP_NUM_THREADS=1
    25	time aprun -n 640 -N 32 rmg-cpu 302waters.rmg_cpu
    26	
Job submitted to account: jnc
echo MYJOBID=$MYJOBID
~arnoldg/ior/wait_for.sh $MYJOBID
MYJOBID=6200396.bw
=== RUNNING /u/staff/arnoldg/ior/wait_for.sh ===
Wed Feb 22 13:44:54 CST 2017: waiting for 6200396.bw to finish
Wed Feb 22 13:49:54 CST 2017: waiting for 6200396.bw to finish
Wed Feb 22 13:54:54 CST 2017: waiting for 6200396.bw to finish
Wed Feb 22 13:59:54 CST 2017: waiting for 6200396.bw to finish
Wed Feb 22 14:04:54 CST 2017: waiting for 6200396.bw to finish
Wed Feb 22 14:09:55 CST 2017: waiting for 6200396.bw to finish
Wed Feb 22 14:14:55 CST 2017: waiting for 6200396.bw to finish
Wed Feb 22 14:19:55 CST 2017: waiting for 6200396.bw to finish
Wed Feb 22 14:24:56 CST 2017: waiting for 6200396.bw to finish
Wed Feb 22 14:29:56 CST 2017: waiting for 6200396.bw to finish
Wed Feb 22 14:34:56 CST 2017: waiting for 6200396.bw to finish
Wed Feb 22 14:39:56 CST 2017: waiting for 6200396.bw to finish
Wed Feb 22 14:44:56 CST 2017: waiting for 6200396.bw to finish
Wed Feb 22 14:49:56 CST 2017: waiting for 6200396.bw to finish
Wed Feb 22 14:54:56 CST 2017: waiting for 6200396.bw to finish
Wed Feb 22 14:59:56 CST 2017: waiting for 6200396.bw to finish
Wed Feb 22 15:04:56 CST 2017: waiting for 6200396.bw to finish
Wed Feb 22 15:09:56 CST 2017: waiting for 6200396.bw to finish
Wed Feb 22 15:14:56 CST 2017: waiting for 6200396.bw to finish
Wed Feb 22 15:19:56 CST 2017: waiting for 6200396.bw to finish
Wed Feb 22 15:24:56 CST 2017: waiting for 6200396.bw to finish
Wed Feb 22 15:29:56 CST 2017: waiting for 6200396.bw to finish
Wed Feb 22 15:34:56 CST 2017: waiting for 6200396.bw to finish
Wed Feb 22 15:39:56 CST 2017: waiting for 6200396.bw to finish
Wed Feb 22 15:44:56 CST 2017: waiting for 6200396.bw to finish
qstat: Unknown Job Id Error 6200396.bw
tail *.log > ~/rmg-spp/rmg.logtail.txt
bash: line 79: /var/lib/jenkins/rmg-spp/rmg.logtail.txt: No such file or directory

grep "real" zsmall.o*
MYREALTIME=`egrep "real\s" zsmall.o* | cut -dl -f2 | cut -dm -f1` 
egrep "real\s" zsmall.o* | cut -dl -f2 | cut -dm -f1
echo "YVALUE= $MYREALTIME" > $INSTDIR/rmg.realtime
cat -n $INSTDIR/rmg.realtime
6200396.bw finished
real-time priority              (-r) 0
real	115m37.436s
     1	YVALUE= 	115
[SSH] exit-status: 0
[rmg-spp-newpe] $ /bin/sh -xe /tmp/hudson6224004547527582226.sh
+ scp 'BW_REMOTE:~/rmg-spp/*.txt' /var/lib/jenkins/workspace/rmg-spp-newpe

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

Blue Water Admin Team

scp: /u/system/bwjenkins/rmg-spp/*.txt: No such file or directory
Build step 'Execute shell' marked build as failure
Recording plot data
Saving plot series data from: /var/lib/jenkins/workspace/rmg-spp-newpe/rmg.realtime
Finished: FAILURE