Skipping 694 KB..
Full Logmake[3]: Leaving directory `/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/lib/libxc-2.2.2/lib64/src'
make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/lib/libxc-2.2.2/lib64/src'
make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/lib/libxc-2.2.2/lib64/src'
Making install in testsuite
make[1]: Entering directory `/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/lib/libxc-2.2.2/lib64/testsuite'
/opt/cray/craype/2.5.4/bin/cc -DHAVE_CONFIG_H -I. -I/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/lib/libxc-2.2.2/testsuite -I.. -I/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/lib/libxc-2.2.2/testsuite/../src/ -I../src -g -O2 -MT xc_get_data-xc-get_data.o -MD -MP -MF .deps/xc_get_data-xc-get_data.Tpo -c -o xc_get_data-xc-get_data.o `test -f 'xc-get_data.c' || echo '/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/lib/libxc-2.2.2/testsuite/'`xc-get_data.c
mv -f .deps/xc_get_data-xc-get_data.Tpo .deps/xc_get_data-xc-get_data.Po
/bin/sh ../libtool --tag=CC --mode=link /opt/cray/craype/2.5.4/bin/cc -g -O2 -o xc-get_data xc_get_data-xc-get_data.o -L../src/ -lxc -lm
libtool: link: /opt/cray/craype/2.5.4/bin/cc -g -O2 -o xc-get_data xc_get_data-xc-get_data.o -L../src/ /mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/lib/libxc-2.2.2/lib64/src/.libs/libxc.a -lm
/opt/cray/craype/2.5.4/bin/cc -DHAVE_CONFIG_H -I. -I/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/lib/libxc-2.2.2/testsuite -I.. -I/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/lib/libxc-2.2.2/testsuite/../src/ -I../src -g -O2 -MT xc_consistency-xc-consistency.o -MD -MP -MF .deps/xc_consistency-xc-consistency.Tpo -c -o xc_consistency-xc-consistency.o `test -f 'xc-consistency.c' || echo '/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/lib/libxc-2.2.2/testsuite/'`xc-consistency.c
mv -f .deps/xc_consistency-xc-consistency.Tpo .deps/xc_consistency-xc-consistency.Po
/bin/sh ../libtool --tag=CC --mode=link /opt/cray/craype/2.5.4/bin/cc -g -O2 -o xc-consistency xc_consistency-xc-consistency.o -L../src/ -lxc -lm
libtool: link: /opt/cray/craype/2.5.4/bin/cc -g -O2 -o xc-consistency xc_consistency-xc-consistency.o -L../src/ /mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/lib/libxc-2.2.2/lib64/src/.libs/libxc.a -lm
/opt/cray/craype/2.5.4/bin/cc -DHAVE_CONFIG_H -I. -I/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/lib/libxc-2.2.2/testsuite -I.. -I/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/lib/libxc-2.2.2/testsuite/../src/ -I../src -g -O2 -MT xc_regression-xc-regression.o -MD -MP -MF .deps/xc_regression-xc-regression.Tpo -c -o xc_regression-xc-regression.o `test -f 'xc-regression.c' || echo '/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/lib/libxc-2.2.2/testsuite/'`xc-regression.c
mv -f .deps/xc_regression-xc-regression.Tpo .deps/xc_regression-xc-regression.Po
/bin/sh ../libtool --tag=CC --mode=link /opt/cray/craype/2.5.4/bin/cc -g -O2 -o xc-regression xc_regression-xc-regression.o -L../src/ -lxc -lm
libtool: link: /opt/cray/craype/2.5.4/bin/cc -g -O2 -o xc-regression xc_regression-xc-regression.o -L../src/ /mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/lib/libxc-2.2.2/lib64/src/.libs/libxc.a -lm
/opt/cray/craype/2.5.4/bin/cc -DHAVE_CONFIG_H -I. -I/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/lib/libxc-2.2.2/testsuite -I.. -I/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/lib/libxc-2.2.2/testsuite/../src/ -I../src -g -O2 -MT xc_error-xc-error.o -MD -MP -MF .deps/xc_error-xc-error.Tpo -c -o xc_error-xc-error.o `test -f 'xc-error.c' || echo '/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/lib/libxc-2.2.2/testsuite/'`xc-error.c
mv -f .deps/xc_error-xc-error.Tpo .deps/xc_error-xc-error.Po
/bin/sh ../libtool --tag=CC --mode=link /opt/cray/craype/2.5.4/bin/cc -g -O2 -o xc-error xc_error-xc-error.o -lm
libtool: link: /opt/cray/craype/2.5.4/bin/cc -g -O2 -o xc-error xc_error-xc-error.o -lm
make[2]: Entering directory `/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/lib/libxc-2.2.2/lib64/testsuite'
make[2]: Nothing to be done for `install-exec-am'.
make[2]: Nothing to be done for `install-data-am'.
make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/lib/libxc-2.2.2/lib64/testsuite'
make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/lib/libxc-2.2.2/lib64/testsuite'
make[1]: Entering directory `/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/lib/libxc-2.2.2/lib64'
make[2]: Entering directory `/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/lib/libxc-2.2.2/lib64'
make[2]: Nothing to be done for `install-exec-am'.
/bin/mkdir -p '/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/lib/libxc-2.2.2/lib64/include'
/usr/bin/install -c -m 644 xc_version.h '/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/lib/libxc-2.2.2/lib64/include'
make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/lib/libxc-2.2.2/lib64'
make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/lib/libxc-2.2.2/lib64'
-- Found LIBXC: /mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/lib/libxc-2.2.2/lib64/lib/libxc.a
-- Could NOT find LIBSPG (missing: LIBSPG_LIBRARIES)
spglib-1.6.3/
spglib-1.6.3/aclocal.m4
spglib-1.6.3/AUTHORS
spglib-1.6.3/ChangeLog
spglib-1.6.3/compile
spglib-1.6.3/config.guess
spglib-1.6.3/config.h.in
spglib-1.6.3/config.sub
spglib-1.6.3/configure
spglib-1.6.3/configure.ac
spglib-1.6.3/COPYING
spglib-1.6.3/depcomp
spglib-1.6.3/example/
spglib-1.6.3/INSTALL
spglib-1.6.3/install-sh
spglib-1.6.3/ltmain.sh
spglib-1.6.3/m4/
spglib-1.6.3/Makefile.am
spglib-1.6.3/Makefile.in
spglib-1.6.3/missing
spglib-1.6.3/NEWS
spglib-1.6.3/python/
spglib-1.6.3/README
spglib-1.6.3/src/
spglib-1.6.3/test/
spglib-1.6.3/test/check_consistency.py
spglib-1.6.3/test/data/
spglib-1.6.3/test/extconf.rb
spglib-1.6.3/test/getspg.c
spglib-1.6.3/test/poscar.rb
spglib-1.6.3/test/poscar2findsym.rb
spglib-1.6.3/test/README
spglib-1.6.3/test/symPoscar.rb
spglib-1.6.3/test/data/cubic/
spglib-1.6.3/test/data/hexagonal/
spglib-1.6.3/test/data/monoclinic/
spglib-1.6.3/test/data/orthorhombic/
spglib-1.6.3/test/data/others/
spglib-1.6.3/test/data/test-all.zsh
spglib-1.6.3/test/data/test-cubic.zsh
spglib-1.6.3/test/data/test-hexa.zsh
spglib-1.6.3/test/data/test-monocli.zsh
spglib-1.6.3/test/data/test-ortho.zsh
spglib-1.6.3/test/data/test-refined_symmetry.zsh
spglib-1.6.3/test/data/test-tetra.zsh
spglib-1.6.3/test/data/test-tricli.zsh
spglib-1.6.3/test/data/test-trigo.zsh
spglib-1.6.3/test/data/tetragonal/
spglib-1.6.3/test/data/triclinic/
spglib-1.6.3/test/data/trigonal/
spglib-1.6.3/test/data/virtual_structure/
spglib-1.6.3/test/data/virtual_structure/poscar-221/
spglib-1.6.3/test/data/virtual_structure/poscar-222/
spglib-1.6.3/test/data/virtual_structure/poscar-223/
spglib-1.6.3/test/data/virtual_structure/poscar-224/
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_primitive/
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/
spglib-1.6.3/test/data/virtual_structure/poscars-1/
spglib-1.6.3/test/data/virtual_structure/poscars-2/
spglib-1.6.3/test/data/virtual_structure/rhombohedral/
spglib-1.6.3/test/data/virtual_structure/test-virtual.zsh
spglib-1.6.3/test/data/virtual_structure/rhombohedral/POSCAR-1
spglib-1.6.3/test/data/virtual_structure/poscars-2/POSCAR-22
spglib-1.6.3/test/data/virtual_structure/poscars-2/POSCAR-26
spglib-1.6.3/test/data/virtual_structure/poscars-2/POSCAR-9
spglib-1.6.3/test/data/virtual_structure/poscars-1/POSCAR-15
spglib-1.6.3/test/data/virtual_structure/poscars-1/POSCAR-16
spglib-1.6.3/test/data/virtual_structure/poscars-1/POSCAR-17
spglib-1.6.3/test/data/virtual_structure/poscars-1/POSCAR-18
spglib-1.6.3/test/data/virtual_structure/poscars-1/POSCAR-19
spglib-1.6.3/test/data/virtual_structure/poscars-1/POSCAR-27
spglib-1.6.3/test/data/virtual_structure/poscars-1/POSCAR-28
spglib-1.6.3/test/data/virtual_structure/poscars-1/POSCAR-29
spglib-1.6.3/test/data/virtual_structure/poscars-1/POSCAR-30
spglib-1.6.3/test/data/virtual_structure/poscars-1/POSCAR-31
spglib-1.6.3/test/data/virtual_structure/poscars-1/POSCAR-32
spglib-1.6.3/test/data/virtual_structure/poscars-1/POSCAR-33
spglib-1.6.3/test/data/virtual_structure/poscars-1/POSCAR-6
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-01
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-02
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-03
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-04
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-05
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-06
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-07
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-08
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-09
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-10
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-11
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-12
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-13
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-14
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-15
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-16
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-17
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-18
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-19
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-20
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-21
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-22
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-23
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-24
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-25
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-26
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-27
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-28
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-29
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-30
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-31
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-32
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-33
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-34
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-35
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-36
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-37
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-38
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-39
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-40
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-41
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-42
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-43
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-44
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-45
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-46
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-47
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-48
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-49
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-50
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-51
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-52
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-53
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-54
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-55
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-56
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-57
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-58
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-59
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-60
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-61
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_unit/POSCAR-62
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-01
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-02
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-03
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-04
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-05
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-06
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-07
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-08
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-09
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-10
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-11
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-12
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-13
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-14
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-15
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-16
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-17
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-18
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-19
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-20
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-21
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-22
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-23
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-24
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-25
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-26
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-27
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-28
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-29
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-30
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-31
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-32
spglib-1.6.3/test/data/virtual_structure/poscar_Ia-3d_primitive/POSCAR-33
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-01
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-03
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-06
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-09
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-13
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-16
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-18
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-19
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-21
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-24
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-28
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-29
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-31
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-32
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-33
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-35
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-36
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-38
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-40
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-41
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-43
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-44
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-45
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-47
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-48
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-49
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-50
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-51
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-53
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-54
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-58
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-59
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-60
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-61
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-62
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-63
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-64
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-65
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-66
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-67
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-68
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-69
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-70
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-71
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-72
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-73
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-74
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-75
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-77
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-78
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-79
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-80
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-81
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-82
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-83
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-84
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-85
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-86
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-87
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-88
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-89
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-90
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-91
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-92
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-93
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-94
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-95
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-96
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-97
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-98
spglib-1.6.3/test/data/virtual_structure/poscar_Fd-3m_unit/POSCAR-99
spglib-1.6.3/test/data/virtual_structure/poscar-224/POSCAR-01
spglib-1.6.3/test/data/virtual_structure/poscar-224/POSCAR-02
spglib-1.6.3/test/data/virtual_structure/poscar-224/POSCAR-03
spglib-1.6.3/test/data/virtual_structure/poscar-224/POSCAR-04
spglib-1.6.3/test/data/virtual_structure/poscar-224/POSCAR-05
spglib-1.6.3/test/data/virtual_structure/poscar-224/POSCAR-06
spglib-1.6.3/test/data/virtual_structure/poscar-224/POSCAR-07
spglib-1.6.3/test/data/virtual_structure/poscar-224/POSCAR-08
spglib-1.6.3/test/data/virtual_structure/poscar-224/POSCAR-09
spglib-1.6.3/test/data/virtual_structure/poscar-224/POSCAR-10
spglib-1.6.3/test/data/virtual_structure/poscar-224/POSCAR-11
spglib-1.6.3/test/data/virtual_structure/poscar-224/POSCAR-12
spglib-1.6.3/test/data/virtual_structure/poscar-224/POSCAR-13
spglib-1.6.3/test/data/virtual_structure/poscar-224/POSCAR-14
spglib-1.6.3/test/data/virtual_structure/poscar-224/POSCAR-15
spglib-1.6.3/test/data/virtual_structure/poscar-224/POSCAR-16
spglib-1.6.3/test/data/virtual_structure/poscar-224/POSCAR-17
spglib-1.6.3/test/data/virtual_structure/poscar-224/POSCAR-18
spglib-1.6.3/test/data/virtual_structure/poscar-224/POSCAR-19
spglib-1.6.3/test/data/virtual_structure/poscar-224/POSCAR-20
spglib-1.6.3/test/data/virtual_structure/poscar-224/POSCAR-21
spglib-1.6.3/test/data/virtual_structure/poscar-224/POSCAR-22
spglib-1.6.3/test/data/virtual_structure/poscar-224/POSCAR-23
spglib-1.6.3/test/data/virtual_structure/poscar-224/POSCAR-24
spglib-1.6.3/test/data/virtual_structure/poscar-224/POSCAR-25
spglib-1.6.3/test/data/virtual_structure/poscar-224/POSCAR-26
spglib-1.6.3/test/data/virtual_structure/poscar-224/POSCAR-27
spglib-1.6.3/test/data/virtual_structure/poscar-224/POSCAR-28
spglib-1.6.3/test/data/virtual_structure/poscar-224/POSCAR-29
spglib-1.6.3/test/data/virtual_structure/poscar-224/POSCAR-30
spglib-1.6.3/test/data/virtual_structure/poscar-224/POSCAR-31
spglib-1.6.3/test/data/virtual_structure/poscar-224/POSCAR-32
spglib-1.6.3/test/data/virtual_structure/poscar-224/POSCAR-33
spglib-1.6.3/test/data/virtual_structure/poscar-223/POSCAR-01
spglib-1.6.3/test/data/virtual_structure/poscar-223/POSCAR-02
spglib-1.6.3/test/data/virtual_structure/poscar-223/POSCAR-03
spglib-1.6.3/test/data/virtual_structure/poscar-223/POSCAR-04
spglib-1.6.3/test/data/virtual_structure/poscar-223/POSCAR-05
spglib-1.6.3/test/data/virtual_structure/poscar-223/POSCAR-06
spglib-1.6.3/test/data/virtual_structure/poscar-223/POSCAR-07
spglib-1.6.3/test/data/virtual_structure/poscar-223/POSCAR-08
spglib-1.6.3/test/data/virtual_structure/poscar-223/POSCAR-09
spglib-1.6.3/test/data/virtual_structure/poscar-223/POSCAR-10
spglib-1.6.3/test/data/virtual_structure/poscar-223/POSCAR-11
spglib-1.6.3/test/data/virtual_structure/poscar-223/POSCAR-12
spglib-1.6.3/test/data/virtual_structure/poscar-223/POSCAR-13
spglib-1.6.3/test/data/virtual_structure/poscar-223/POSCAR-14
spglib-1.6.3/test/data/virtual_structure/poscar-223/POSCAR-15
spglib-1.6.3/test/data/virtual_structure/poscar-223/POSCAR-16
spglib-1.6.3/test/data/virtual_structure/poscar-223/POSCAR-17
spglib-1.6.3/test/data/virtual_structure/poscar-223/POSCAR-18
spglib-1.6.3/test/data/virtual_structure/poscar-223/POSCAR-19
spglib-1.6.3/test/data/virtual_structure/poscar-223/POSCAR-20
spglib-1.6.3/test/data/virtual_structure/poscar-223/POSCAR-21
spglib-1.6.3/test/data/virtual_structure/poscar-223/POSCAR-22
spglib-1.6.3/test/data/virtual_structure/poscar-223/POSCAR-23
spglib-1.6.3/test/data/virtual_structure/poscar-223/POSCAR-24
spglib-1.6.3/test/data/virtual_structure/poscar-223/POSCAR-25
spglib-1.6.3/test/data/virtual_structure/poscar-223/POSCAR-26
spglib-1.6.3/test/data/virtual_structure/poscar-223/POSCAR-27
spglib-1.6.3/test/data/virtual_structure/poscar-223/POSCAR-28
spglib-1.6.3/test/data/virtual_structure/poscar-223/POSCAR-29
spglib-1.6.3/test/data/virtual_structure/poscar-223/POSCAR-30
spglib-1.6.3/test/data/virtual_structure/poscar-223/POSCAR-31
spglib-1.6.3/test/data/virtual_structure/poscar-223/POSCAR-32
spglib-1.6.3/test/data/virtual_structure/poscar-223/POSCAR-33
spglib-1.6.3/test/data/virtual_structure/poscar-222/POSCAR-01
spglib-1.6.3/test/data/virtual_structure/poscar-222/POSCAR-02
spglib-1.6.3/test/data/virtual_structure/poscar-222/POSCAR-03
spglib-1.6.3/test/data/virtual_structure/poscar-222/POSCAR-04
spglib-1.6.3/test/data/virtual_structure/poscar-222/POSCAR-05
spglib-1.6.3/test/data/virtual_structure/poscar-222/POSCAR-06
spglib-1.6.3/test/data/virtual_structure/poscar-222/POSCAR-07
spglib-1.6.3/test/data/virtual_structure/poscar-222/POSCAR-08
spglib-1.6.3/test/data/virtual_structure/poscar-222/POSCAR-09
spglib-1.6.3/test/data/virtual_structure/poscar-222/POSCAR-10
spglib-1.6.3/test/data/virtual_structure/poscar-222/POSCAR-11
spglib-1.6.3/test/data/virtual_structure/poscar-222/POSCAR-12
spglib-1.6.3/test/data/virtual_structure/poscar-222/POSCAR-13
spglib-1.6.3/test/data/virtual_structure/poscar-222/POSCAR-14
spglib-1.6.3/test/data/virtual_structure/poscar-222/POSCAR-15
spglib-1.6.3/test/data/virtual_structure/poscar-222/POSCAR-16
spglib-1.6.3/test/data/virtual_structure/poscar-222/POSCAR-17
spglib-1.6.3/test/data/virtual_structure/poscar-222/POSCAR-18
spglib-1.6.3/test/data/virtual_structure/poscar-222/POSCAR-19
spglib-1.6.3/test/data/virtual_structure/poscar-222/POSCAR-20
spglib-1.6.3/test/data/virtual_structure/poscar-222/POSCAR-21
spglib-1.6.3/test/data/virtual_structure/poscar-222/POSCAR-22
spglib-1.6.3/test/data/virtual_structure/poscar-222/POSCAR-23
spglib-1.6.3/test/data/virtual_structure/poscar-222/POSCAR-24
spglib-1.6.3/test/data/virtual_structure/poscar-222/POSCAR-25
spglib-1.6.3/test/data/virtual_structure/poscar-222/POSCAR-26
spglib-1.6.3/test/data/virtual_structure/poscar-222/POSCAR-27
spglib-1.6.3/test/data/virtual_structure/poscar-222/POSCAR-28
spglib-1.6.3/test/data/virtual_structure/poscar-222/POSCAR-29
spglib-1.6.3/test/data/virtual_structure/poscar-222/POSCAR-30
spglib-1.6.3/test/data/virtual_structure/poscar-222/POSCAR-31
spglib-1.6.3/test/data/virtual_structure/poscar-222/POSCAR-32
spglib-1.6.3/test/data/virtual_structure/poscar-222/POSCAR-33
spglib-1.6.3/test/data/virtual_structure/poscar-221/POSCAR-01
spglib-1.6.3/test/data/virtual_structure/poscar-221/POSCAR-02
spglib-1.6.3/test/data/virtual_structure/poscar-221/POSCAR-03
spglib-1.6.3/test/data/virtual_structure/poscar-221/POSCAR-04
spglib-1.6.3/test/data/virtual_structure/poscar-221/POSCAR-05
spglib-1.6.3/test/data/virtual_structure/poscar-221/POSCAR-06
spglib-1.6.3/test/data/virtual_structure/poscar-221/POSCAR-07
spglib-1.6.3/test/data/virtual_structure/poscar-221/POSCAR-08
spglib-1.6.3/test/data/virtual_structure/poscar-221/POSCAR-09
spglib-1.6.3/test/data/virtual_structure/poscar-221/POSCAR-10
spglib-1.6.3/test/data/virtual_structure/poscar-221/POSCAR-11
spglib-1.6.3/test/data/virtual_structure/poscar-221/POSCAR-12
spglib-1.6.3/test/data/virtual_structure/poscar-221/POSCAR-13
spglib-1.6.3/test/data/virtual_structure/poscar-221/POSCAR-14
spglib-1.6.3/test/data/virtual_structure/poscar-221/POSCAR-15
spglib-1.6.3/test/data/virtual_structure/poscar-221/POSCAR-16
spglib-1.6.3/test/data/virtual_structure/poscar-221/POSCAR-17
spglib-1.6.3/test/data/virtual_structure/poscar-221/POSCAR-18
spglib-1.6.3/test/data/virtual_structure/poscar-221/POSCAR-19
spglib-1.6.3/test/data/virtual_structure/poscar-221/POSCAR-20
spglib-1.6.3/test/data/virtual_structure/poscar-221/POSCAR-21
spglib-1.6.3/test/data/virtual_structure/poscar-221/POSCAR-22
spglib-1.6.3/test/data/virtual_structure/poscar-221/POSCAR-23
spglib-1.6.3/test/data/virtual_structure/poscar-221/POSCAR-24
spglib-1.6.3/test/data/virtual_structure/poscar-221/POSCAR-25
spglib-1.6.3/test/data/virtual_structure/poscar-221/POSCAR-26
spglib-1.6.3/test/data/virtual_structure/poscar-221/POSCAR-27
spglib-1.6.3/test/data/virtual_structure/poscar-221/POSCAR-28
spglib-1.6.3/test/data/virtual_structure/poscar-221/POSCAR-29
spglib-1.6.3/test/data/virtual_structure/poscar-221/POSCAR-30
spglib-1.6.3/test/data/virtual_structure/poscar-221/POSCAR-31
spglib-1.6.3/test/data/virtual_structure/poscar-221/POSCAR-32
spglib-1.6.3/test/data/virtual_structure/poscar-221/POSCAR-33
spglib-1.6.3/test/data/trigonal/POSCAR-143
spglib-1.6.3/test/data/trigonal/POSCAR-143-2
spglib-1.6.3/test/data/trigonal/POSCAR-144
spglib-1.6.3/test/data/trigonal/POSCAR-144-2
spglib-1.6.3/test/data/trigonal/POSCAR-145
spglib-1.6.3/test/data/trigonal/POSCAR-145-2
spglib-1.6.3/test/data/trigonal/POSCAR-146
spglib-1.6.3/test/data/trigonal/POSCAR-146-2
spglib-1.6.3/test/data/trigonal/POSCAR-147
spglib-1.6.3/test/data/trigonal/POSCAR-147-2
spglib-1.6.3/test/data/trigonal/POSCAR-148
spglib-1.6.3/test/data/trigonal/POSCAR-148-2
spglib-1.6.3/test/data/trigonal/POSCAR-149
spglib-1.6.3/test/data/trigonal/POSCAR-149-2
spglib-1.6.3/test/data/trigonal/POSCAR-150
spglib-1.6.3/test/data/trigonal/POSCAR-150-2
spglib-1.6.3/test/data/trigonal/POSCAR-151
spglib-1.6.3/test/data/trigonal/POSCAR-151-2
spglib-1.6.3/test/data/trigonal/POSCAR-152
spglib-1.6.3/test/data/trigonal/POSCAR-152-2
spglib-1.6.3/test/data/trigonal/POSCAR-153
spglib-1.6.3/test/data/trigonal/POSCAR-154
spglib-1.6.3/test/data/trigonal/POSCAR-154-2
spglib-1.6.3/test/data/trigonal/POSCAR-154-3
spglib-1.6.3/test/data/trigonal/POSCAR-155
spglib-1.6.3/test/data/trigonal/POSCAR-155-2
spglib-1.6.3/test/data/trigonal/POSCAR-156
spglib-1.6.3/test/data/trigonal/POSCAR-156-2
spglib-1.6.3/test/data/trigonal/POSCAR-157
spglib-1.6.3/test/data/trigonal/POSCAR-157-2
spglib-1.6.3/test/data/trigonal/POSCAR-158
spglib-1.6.3/test/data/trigonal/POSCAR-158-2
spglib-1.6.3/test/data/trigonal/POSCAR-159
spglib-1.6.3/test/data/trigonal/POSCAR-159-2
spglib-1.6.3/test/data/trigonal/POSCAR-160
spglib-1.6.3/test/data/trigonal/POSCAR-160-2
spglib-1.6.3/test/data/trigonal/POSCAR-161
spglib-1.6.3/test/data/trigonal/POSCAR-161-2
spglib-1.6.3/test/data/trigonal/POSCAR-162
spglib-1.6.3/test/data/trigonal/POSCAR-162-2
spglib-1.6.3/test/data/trigonal/POSCAR-163
spglib-1.6.3/test/data/trigonal/POSCAR-163-2
spglib-1.6.3/test/data/trigonal/POSCAR-164
spglib-1.6.3/test/data/trigonal/POSCAR-164-2
spglib-1.6.3/test/data/trigonal/POSCAR-165
spglib-1.6.3/test/data/trigonal/POSCAR-165-2
spglib-1.6.3/test/data/trigonal/POSCAR-166
spglib-1.6.3/test/data/trigonal/POSCAR-166-2
spglib-1.6.3/test/data/trigonal/POSCAR-167
spglib-1.6.3/test/data/trigonal/POSCAR-167-2
spglib-1.6.3/test/data/trigonal/POSCAR-167-3
spglib-1.6.3/test/data/triclinic/POSCAR-001
spglib-1.6.3/test/data/triclinic/POSCAR-002
spglib-1.6.3/test/data/tetragonal/POSCAR-075
spglib-1.6.3/test/data/tetragonal/POSCAR-075-2
spglib-1.6.3/test/data/tetragonal/POSCAR-076
spglib-1.6.3/test/data/tetragonal/POSCAR-076-2
spglib-1.6.3/test/data/tetragonal/POSCAR-077
spglib-1.6.3/test/data/tetragonal/POSCAR-077-2
spglib-1.6.3/test/data/tetragonal/POSCAR-077-3
spglib-1.6.3/test/data/tetragonal/POSCAR-078
spglib-1.6.3/test/data/tetragonal/POSCAR-078-2
spglib-1.6.3/test/data/tetragonal/POSCAR-079
spglib-1.6.3/test/data/tetragonal/POSCAR-079-2
spglib-1.6.3/test/data/tetragonal/POSCAR-080
spglib-1.6.3/test/data/tetragonal/POSCAR-080-2
spglib-1.6.3/test/data/tetragonal/POSCAR-081
spglib-1.6.3/test/data/tetragonal/POSCAR-081-2
spglib-1.6.3/test/data/tetragonal/POSCAR-082
spglib-1.6.3/test/data/tetragonal/POSCAR-082-2
spglib-1.6.3/test/data/tetragonal/POSCAR-083
spglib-1.6.3/test/data/tetragonal/POSCAR-083-2
spglib-1.6.3/test/data/tetragonal/POSCAR-083-3
spglib-1.6.3/test/data/tetragonal/POSCAR-084
spglib-1.6.3/test/data/tetragonal/POSCAR-084-2
spglib-1.6.3/test/data/tetragonal/POSCAR-085
spglib-1.6.3/test/data/tetragonal/POSCAR-085-2
spglib-1.6.3/test/data/tetragonal/POSCAR-086
spglib-1.6.3/test/data/tetragonal/POSCAR-086-2
spglib-1.6.3/test/data/tetragonal/POSCAR-087
spglib-1.6.3/test/data/tetragonal/POSCAR-087-2
spglib-1.6.3/test/data/tetragonal/POSCAR-088
spglib-1.6.3/test/data/tetragonal/POSCAR-088-2
spglib-1.6.3/test/data/tetragonal/POSCAR-090
spglib-1.6.3/test/data/tetragonal/POSCAR-090-2
spglib-1.6.3/test/data/tetragonal/POSCAR-091
spglib-1.6.3/test/data/tetragonal/POSCAR-091-2
spglib-1.6.3/test/data/tetragonal/POSCAR-092
spglib-1.6.3/test/data/tetragonal/POSCAR-092-2
spglib-1.6.3/test/data/tetragonal/POSCAR-092-3
spglib-1.6.3/test/data/tetragonal/POSCAR-094
spglib-1.6.3/test/data/tetragonal/POSCAR-094-2
spglib-1.6.3/test/data/tetragonal/POSCAR-094-3
spglib-1.6.3/test/data/tetragonal/POSCAR-095
spglib-1.6.3/test/data/tetragonal/POSCAR-095-2
spglib-1.6.3/test/data/tetragonal/POSCAR-096
spglib-1.6.3/test/data/tetragonal/POSCAR-096-2
spglib-1.6.3/test/data/tetragonal/POSCAR-097
spglib-1.6.3/test/data/tetragonal/POSCAR-097-2
spglib-1.6.3/test/data/tetragonal/POSCAR-098
spglib-1.6.3/test/data/tetragonal/POSCAR-098-2
spglib-1.6.3/test/data/tetragonal/POSCAR-099
spglib-1.6.3/test/data/tetragonal/POSCAR-099-2
spglib-1.6.3/test/data/tetragonal/POSCAR-100
spglib-1.6.3/test/data/tetragonal/POSCAR-100-2
spglib-1.6.3/test/data/tetragonal/POSCAR-102
spglib-1.6.3/test/data/tetragonal/POSCAR-102-2
spglib-1.6.3/test/data/tetragonal/POSCAR-103
spglib-1.6.3/test/data/tetragonal/POSCAR-103-2
spglib-1.6.3/test/data/tetragonal/POSCAR-104
spglib-1.6.3/test/data/tetragonal/POSCAR-104-2
spglib-1.6.3/test/data/tetragonal/POSCAR-105
spglib-1.6.3/test/data/tetragonal/POSCAR-105-2
spglib-1.6.3/test/data/tetragonal/POSCAR-106
spglib-1.6.3/test/data/tetragonal/POSCAR-107
spglib-1.6.3/test/data/tetragonal/POSCAR-107-2
spglib-1.6.3/test/data/tetragonal/POSCAR-107-3
spglib-1.6.3/test/data/tetragonal/POSCAR-108
spglib-1.6.3/test/data/tetragonal/POSCAR-108-2
spglib-1.6.3/test/data/tetragonal/POSCAR-109
spglib-1.6.3/test/data/tetragonal/POSCAR-109-2
spglib-1.6.3/test/data/tetragonal/POSCAR-110
spglib-1.6.3/test/data/tetragonal/POSCAR-110-2
spglib-1.6.3/test/data/tetragonal/POSCAR-111
spglib-1.6.3/test/data/tetragonal/POSCAR-111-2
spglib-1.6.3/test/data/tetragonal/POSCAR-112
spglib-1.6.3/test/data/tetragonal/POSCAR-112-2
spglib-1.6.3/test/data/tetragonal/POSCAR-113
spglib-1.6.3/test/data/tetragonal/POSCAR-113-2
spglib-1.6.3/test/data/tetragonal/POSCAR-114
spglib-1.6.3/test/data/tetragonal/POSCAR-114-2
spglib-1.6.3/test/data/tetragonal/POSCAR-115
spglib-1.6.3/test/data/tetragonal/POSCAR-115-2
spglib-1.6.3/test/data/tetragonal/POSCAR-115-3
spglib-1.6.3/test/data/tetragonal/POSCAR-115-4
spglib-1.6.3/test/data/tetragonal/POSCAR-115-5
spglib-1.6.3/test/data/tetragonal/POSCAR-116
spglib-1.6.3/test/data/tetragonal/POSCAR-116-2
spglib-1.6.3/test/data/tetragonal/POSCAR-117
spglib-1.6.3/test/data/tetragonal/POSCAR-117-2
spglib-1.6.3/test/data/tetragonal/POSCAR-118
spglib-1.6.3/test/data/tetragonal/POSCAR-118-2
spglib-1.6.3/test/data/tetragonal/POSCAR-119
spglib-1.6.3/test/data/tetragonal/POSCAR-119-2
spglib-1.6.3/test/data/tetragonal/POSCAR-120
spglib-1.6.3/test/data/tetragonal/POSCAR-120-2
spglib-1.6.3/test/data/tetragonal/POSCAR-121
spglib-1.6.3/test/data/tetragonal/POSCAR-121-2
spglib-1.6.3/test/data/tetragonal/POSCAR-122
spglib-1.6.3/test/data/tetragonal/POSCAR-122-2
spglib-1.6.3/test/data/tetragonal/POSCAR-122-3
spglib-1.6.3/test/data/tetragonal/POSCAR-123
spglib-1.6.3/test/data/tetragonal/POSCAR-123-2
spglib-1.6.3/test/data/tetragonal/POSCAR-123-3
spglib-1.6.3/test/data/tetragonal/POSCAR-124
spglib-1.6.3/test/data/tetragonal/POSCAR-124-2
spglib-1.6.3/test/data/tetragonal/POSCAR-125
spglib-1.6.3/test/data/tetragonal/POSCAR-125-2
spglib-1.6.3/test/data/tetragonal/POSCAR-126
spglib-1.6.3/test/data/tetragonal/POSCAR-126-2
spglib-1.6.3/test/data/tetragonal/POSCAR-127
spglib-1.6.3/test/data/tetragonal/POSCAR-127-2
spglib-1.6.3/test/data/tetragonal/POSCAR-128
spglib-1.6.3/test/data/tetragonal/POSCAR-128-2
spglib-1.6.3/test/data/tetragonal/POSCAR-129
spglib-1.6.3/test/data/tetragonal/POSCAR-129-2
spglib-1.6.3/test/data/tetragonal/POSCAR-129-3
spglib-1.6.3/test/data/tetragonal/POSCAR-130
spglib-1.6.3/test/data/tetragonal/POSCAR-130-2
spglib-1.6.3/test/data/tetragonal/POSCAR-131
spglib-1.6.3/test/data/tetragonal/POSCAR-131-2
spglib-1.6.3/test/data/tetragonal/POSCAR-132
spglib-1.6.3/test/data/tetragonal/POSCAR-132-2
spglib-1.6.3/test/data/tetragonal/POSCAR-133
spglib-1.6.3/test/data/tetragonal/POSCAR-133-2
spglib-1.6.3/test/data/tetragonal/POSCAR-134
spglib-1.6.3/test/data/tetragonal/POSCAR-134-2
spglib-1.6.3/test/data/tetragonal/POSCAR-135
spglib-1.6.3/test/data/tetragonal/POSCAR-135-2
spglib-1.6.3/test/data/tetragonal/POSCAR-136
spglib-1.6.3/test/data/tetragonal/POSCAR-136-2
spglib-1.6.3/test/data/tetragonal/POSCAR-136-3
spglib-1.6.3/test/data/tetragonal/POSCAR-136-4
spglib-1.6.3/test/data/tetragonal/POSCAR-136-5
spglib-1.6.3/test/data/tetragonal/POSCAR-137
spglib-1.6.3/test/data/tetragonal/POSCAR-137-2
spglib-1.6.3/test/data/tetragonal/POSCAR-137-3
spglib-1.6.3/test/data/tetragonal/POSCAR-138
spglib-1.6.3/test/data/tetragonal/POSCAR-138-2
spglib-1.6.3/test/data/tetragonal/POSCAR-139
spglib-1.6.3/test/data/tetragonal/POSCAR-139-2
spglib-1.6.3/test/data/tetragonal/POSCAR-140
spglib-1.6.3/test/data/tetragonal/POSCAR-140-2
spglib-1.6.3/test/data/tetragonal/POSCAR-141
spglib-1.6.3/test/data/tetragonal/POSCAR-141-2
spglib-1.6.3/test/data/tetragonal/POSCAR-142
spglib-1.6.3/test/data/tetragonal/POSCAR-142-2
spglib-1.6.3/test/data/tetragonal/POSCAR-142-3
spglib-1.6.3/test/data/others/spg/
spglib-1.6.3/test/data/others/spg/CONTCAR_1
spglib-1.6.3/test/data/others/spg/CONTCAR_2
spglib-1.6.3/test/data/others/spg/CONTCAR_3
spglib-1.6.3/test/data/others/spg/CONTCAR_4
spglib-1.6.3/test/data/others/spg/CONTCAR_5
spglib-1.6.3/test/data/others/spg/CONTCAR_6
spglib-1.6.3/test/data/others/spg/CONTCAR_7
spglib-1.6.3/test/data/others/spg/CONTCAR_8
spglib-1.6.3/test/data/others/spg/README
spglib-1.6.3/test/data/orthorhombic/POSCAR-016
spglib-1.6.3/test/data/orthorhombic/POSCAR-016-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-017-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-018
spglib-1.6.3/test/data/orthorhombic/POSCAR-018-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-019
spglib-1.6.3/test/data/orthorhombic/POSCAR-019-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-020
spglib-1.6.3/test/data/orthorhombic/POSCAR-021
spglib-1.6.3/test/data/orthorhombic/POSCAR-021-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-022
spglib-1.6.3/test/data/orthorhombic/POSCAR-023
spglib-1.6.3/test/data/orthorhombic/POSCAR-023-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-024
spglib-1.6.3/test/data/orthorhombic/POSCAR-024-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-025
spglib-1.6.3/test/data/orthorhombic/POSCAR-025-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-026
spglib-1.6.3/test/data/orthorhombic/POSCAR-026-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-027
spglib-1.6.3/test/data/orthorhombic/POSCAR-027-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-028
spglib-1.6.3/test/data/orthorhombic/POSCAR-028-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-029
spglib-1.6.3/test/data/orthorhombic/POSCAR-029-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-030
spglib-1.6.3/test/data/orthorhombic/POSCAR-030-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-031
spglib-1.6.3/test/data/orthorhombic/POSCAR-031-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-032
spglib-1.6.3/test/data/orthorhombic/POSCAR-032-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-033
spglib-1.6.3/test/data/orthorhombic/POSCAR-033-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-033-3
spglib-1.6.3/test/data/orthorhombic/POSCAR-034
spglib-1.6.3/test/data/orthorhombic/POSCAR-034-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-035
spglib-1.6.3/test/data/orthorhombic/POSCAR-035-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-036
spglib-1.6.3/test/data/orthorhombic/POSCAR-036-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-037
spglib-1.6.3/test/data/orthorhombic/POSCAR-037-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-038
spglib-1.6.3/test/data/orthorhombic/POSCAR-038-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-039
spglib-1.6.3/test/data/orthorhombic/POSCAR-039-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-040
spglib-1.6.3/test/data/orthorhombic/POSCAR-040-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-041
spglib-1.6.3/test/data/orthorhombic/POSCAR-041-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-042
spglib-1.6.3/test/data/orthorhombic/POSCAR-043
spglib-1.6.3/test/data/orthorhombic/POSCAR-043-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-044
spglib-1.6.3/test/data/orthorhombic/POSCAR-044-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-045
spglib-1.6.3/test/data/orthorhombic/POSCAR-045-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-046
spglib-1.6.3/test/data/orthorhombic/POSCAR-046-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-047
spglib-1.6.3/test/data/orthorhombic/POSCAR-047-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-048
spglib-1.6.3/test/data/orthorhombic/POSCAR-048-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-049
spglib-1.6.3/test/data/orthorhombic/POSCAR-049-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-050
spglib-1.6.3/test/data/orthorhombic/POSCAR-050-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-051
spglib-1.6.3/test/data/orthorhombic/POSCAR-051-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-051-3
spglib-1.6.3/test/data/orthorhombic/POSCAR-052
spglib-1.6.3/test/data/orthorhombic/POSCAR-052-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-053
spglib-1.6.3/test/data/orthorhombic/POSCAR-053-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-054
spglib-1.6.3/test/data/orthorhombic/POSCAR-054-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-055
spglib-1.6.3/test/data/orthorhombic/POSCAR-055-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-056
spglib-1.6.3/test/data/orthorhombic/POSCAR-056-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-057
spglib-1.6.3/test/data/orthorhombic/POSCAR-057-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-058
spglib-1.6.3/test/data/orthorhombic/POSCAR-058-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-058-3
spglib-1.6.3/test/data/orthorhombic/POSCAR-059
spglib-1.6.3/test/data/orthorhombic/POSCAR-059-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-060
spglib-1.6.3/test/data/orthorhombic/POSCAR-060-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-060-3
spglib-1.6.3/test/data/orthorhombic/POSCAR-061
spglib-1.6.3/test/data/orthorhombic/POSCAR-061-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-062
spglib-1.6.3/test/data/orthorhombic/POSCAR-062-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-063
spglib-1.6.3/test/data/orthorhombic/POSCAR-063-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-063-3
spglib-1.6.3/test/data/orthorhombic/POSCAR-064
spglib-1.6.3/test/data/orthorhombic/POSCAR-064-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-064-3
spglib-1.6.3/test/data/orthorhombic/POSCAR-065
spglib-1.6.3/test/data/orthorhombic/POSCAR-065-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-065-3
spglib-1.6.3/test/data/orthorhombic/POSCAR-066
spglib-1.6.3/test/data/orthorhombic/POSCAR-066-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-067
spglib-1.6.3/test/data/orthorhombic/POSCAR-067-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-067-3
spglib-1.6.3/test/data/orthorhombic/POSCAR-068
spglib-1.6.3/test/data/orthorhombic/POSCAR-068-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-069
spglib-1.6.3/test/data/orthorhombic/POSCAR-069-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-070
spglib-1.6.3/test/data/orthorhombic/POSCAR-070-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-071
spglib-1.6.3/test/data/orthorhombic/POSCAR-071-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-072
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spglib-1.6.3/test/data/orthorhombic/POSCAR-073
spglib-1.6.3/test/data/orthorhombic/POSCAR-073-2
spglib-1.6.3/test/data/orthorhombic/POSCAR-074
spglib-1.6.3/test/data/orthorhombic/POSCAR-074-2
spglib-1.6.3/test/data/monoclinic/POSCAR-003
spglib-1.6.3/test/data/monoclinic/POSCAR-004
spglib-1.6.3/test/data/monoclinic/POSCAR-004-2
spglib-1.6.3/test/data/monoclinic/POSCAR-005
spglib-1.6.3/test/data/monoclinic/POSCAR-005-2
spglib-1.6.3/test/data/monoclinic/POSCAR-006
spglib-1.6.3/test/data/monoclinic/POSCAR-006-2
spglib-1.6.3/test/data/monoclinic/POSCAR-007
spglib-1.6.3/test/data/monoclinic/POSCAR-007-2
spglib-1.6.3/test/data/monoclinic/POSCAR-008
spglib-1.6.3/test/data/monoclinic/POSCAR-008-2
spglib-1.6.3/test/data/monoclinic/POSCAR-009
spglib-1.6.3/test/data/monoclinic/POSCAR-009-2
spglib-1.6.3/test/data/monoclinic/POSCAR-010
spglib-1.6.3/test/data/monoclinic/POSCAR-010-2
spglib-1.6.3/test/data/monoclinic/POSCAR-011
spglib-1.6.3/test/data/monoclinic/POSCAR-011-2
spglib-1.6.3/test/data/monoclinic/POSCAR-012
spglib-1.6.3/test/data/monoclinic/POSCAR-012-2
spglib-1.6.3/test/data/monoclinic/POSCAR-012-3
spglib-1.6.3/test/data/monoclinic/POSCAR-013
spglib-1.6.3/test/data/monoclinic/POSCAR-013-2
spglib-1.6.3/test/data/monoclinic/POSCAR-013-3
spglib-1.6.3/test/data/monoclinic/POSCAR-014
spglib-1.6.3/test/data/monoclinic/POSCAR-014-2
spglib-1.6.3/test/data/monoclinic/POSCAR-015
spglib-1.6.3/test/data/monoclinic/POSCAR-015-2
spglib-1.6.3/test/data/monoclinic/POSCAR-015-3
spglib-1.6.3/test/data/hexagonal/POSCAR-168
spglib-1.6.3/test/data/hexagonal/POSCAR-169
spglib-1.6.3/test/data/hexagonal/POSCAR-169-2
spglib-1.6.3/test/data/hexagonal/POSCAR-170
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spglib-1.6.3/test/data/hexagonal/POSCAR-171
spglib-1.6.3/test/data/hexagonal/POSCAR-171-2
spglib-1.6.3/test/data/hexagonal/POSCAR-172
spglib-1.6.3/test/data/hexagonal/POSCAR-173
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spglib-1.6.3/test/data/hexagonal/POSCAR-174
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spglib-1.6.3/test/data/hexagonal/POSCAR-175
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spglib-1.6.3/test/data/hexagonal/POSCAR-176
spglib-1.6.3/test/data/hexagonal/POSCAR-176-2
spglib-1.6.3/test/data/hexagonal/POSCAR-177
spglib-1.6.3/test/data/hexagonal/POSCAR-179
spglib-1.6.3/test/data/hexagonal/POSCAR-179-2
spglib-1.6.3/test/data/hexagonal/POSCAR-180
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spglib-1.6.3/test/data/hexagonal/POSCAR-182
spglib-1.6.3/test/data/hexagonal/POSCAR-182-2
spglib-1.6.3/test/data/hexagonal/POSCAR-183
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spglib-1.6.3/test/data/hexagonal/POSCAR-184
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spglib-1.6.3/test/data/hexagonal/POSCAR-185
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spglib-1.6.3/test/data/hexagonal/POSCAR-186
spglib-1.6.3/test/data/hexagonal/POSCAR-186-2
spglib-1.6.3/test/data/hexagonal/POSCAR-187
spglib-1.6.3/test/data/hexagonal/POSCAR-187-2
spglib-1.6.3/test/data/hexagonal/POSCAR-188
spglib-1.6.3/test/data/hexagonal/POSCAR-188-2
spglib-1.6.3/test/data/hexagonal/POSCAR-189
spglib-1.6.3/test/data/hexagonal/POSCAR-189-2
spglib-1.6.3/test/data/hexagonal/POSCAR-190
spglib-1.6.3/test/data/hexagonal/POSCAR-190-2
spglib-1.6.3/test/data/hexagonal/POSCAR-191
spglib-1.6.3/test/data/hexagonal/POSCAR-191-2
spglib-1.6.3/test/data/hexagonal/POSCAR-192
spglib-1.6.3/test/data/hexagonal/POSCAR-192-2
spglib-1.6.3/test/data/hexagonal/POSCAR-193
spglib-1.6.3/test/data/hexagonal/POSCAR-193-2
spglib-1.6.3/test/data/hexagonal/POSCAR-194
spglib-1.6.3/test/data/hexagonal/POSCAR-194-2
spglib-1.6.3/test/data/cubic/POSCAR-195
spglib-1.6.3/test/data/cubic/POSCAR-195-2
spglib-1.6.3/test/data/cubic/POSCAR-196
spglib-1.6.3/test/data/cubic/POSCAR-196-2
spglib-1.6.3/test/data/cubic/POSCAR-197
spglib-1.6.3/test/data/cubic/POSCAR-197-2
spglib-1.6.3/test/data/cubic/POSCAR-198
spglib-1.6.3/test/data/cubic/POSCAR-198-2
spglib-1.6.3/test/data/cubic/POSCAR-199
spglib-1.6.3/test/data/cubic/POSCAR-199-2
spglib-1.6.3/test/data/cubic/POSCAR-200
spglib-1.6.3/test/data/cubic/POSCAR-200-2
spglib-1.6.3/test/data/cubic/POSCAR-205
spglib-1.6.3/test/data/cubic/POSCAR-205-3
spglib-1.6.3/test/data/cubic/POSCAR-206
spglib-1.6.3/test/data/cubic/POSCAR-206-2
spglib-1.6.3/test/data/cubic/POSCAR-207
spglib-1.6.3/test/data/cubic/POSCAR-208
spglib-1.6.3/test/data/cubic/POSCAR-208-2
spglib-1.6.3/test/data/cubic/POSCAR-209
spglib-1.6.3/test/data/cubic/POSCAR-210
spglib-1.6.3/test/data/cubic/POSCAR-210-2
spglib-1.6.3/test/data/cubic/POSCAR-211
spglib-1.6.3/test/data/cubic/POSCAR-212
spglib-1.6.3/test/data/cubic/POSCAR-212-2
spglib-1.6.3/test/data/cubic/POSCAR-213
spglib-1.6.3/test/data/cubic/POSCAR-213-2
spglib-1.6.3/test/data/cubic/POSCAR-214
spglib-1.6.3/test/data/cubic/POSCAR-214-2
spglib-1.6.3/test/data/cubic/POSCAR-215
spglib-1.6.3/test/data/cubic/POSCAR-215-2
spglib-1.6.3/test/data/cubic/POSCAR-216
spglib-1.6.3/test/data/cubic/POSCAR-216-2
spglib-1.6.3/test/data/cubic/POSCAR-217
spglib-1.6.3/test/data/cubic/POSCAR-217-2
spglib-1.6.3/test/data/cubic/POSCAR-218
spglib-1.6.3/test/data/cubic/POSCAR-218-2
spglib-1.6.3/test/data/cubic/POSCAR-219
spglib-1.6.3/test/data/cubic/POSCAR-219-2
spglib-1.6.3/test/data/cubic/POSCAR-220
spglib-1.6.3/test/data/cubic/POSCAR-220-2
spglib-1.6.3/test/data/cubic/POSCAR-221
spglib-1.6.3/test/data/cubic/POSCAR-221-2
spglib-1.6.3/test/data/cubic/POSCAR-222
spglib-1.6.3/test/data/cubic/POSCAR-222-2
spglib-1.6.3/test/data/cubic/POSCAR-223
spglib-1.6.3/test/data/cubic/POSCAR-223-2
spglib-1.6.3/test/data/cubic/POSCAR-224
spglib-1.6.3/test/data/cubic/POSCAR-224-2
spglib-1.6.3/test/data/cubic/POSCAR-225
spglib-1.6.3/test/data/cubic/POSCAR-225-2
spglib-1.6.3/test/data/cubic/POSCAR-226
spglib-1.6.3/test/data/cubic/POSCAR-226-2
spglib-1.6.3/test/data/cubic/POSCAR-227
spglib-1.6.3/test/data/cubic/POSCAR-227-2
spglib-1.6.3/test/data/cubic/POSCAR-228
spglib-1.6.3/test/data/cubic/POSCAR-228-2
spglib-1.6.3/test/data/cubic/POSCAR-229
spglib-1.6.3/test/data/cubic/POSCAR-229-2
spglib-1.6.3/test/data/cubic/POSCAR-230
spglib-1.6.3/test/data/cubic/POSCAR-230-2
spglib-1.6.3/test/data/cubic/POSCAR-230-3
spglib-1.6.3/test/data/cubic/POSCAR-230-4
spglib-1.6.3/src/cell.c
spglib-1.6.3/src/cell.h
spglib-1.6.3/src/debug.c
spglib-1.6.3/src/debug.h
spglib-1.6.3/src/hall_symbol.c
spglib-1.6.3/src/hall_symbol.h
spglib-1.6.3/src/kpoint.c
spglib-1.6.3/src/kpoint.h
spglib-1.6.3/src/lattice.c
spglib-1.6.3/src/lattice.h
spglib-1.6.3/src/Makefile.am
spglib-1.6.3/src/Makefile.in
spglib-1.6.3/src/mathfunc.c
spglib-1.6.3/src/mathfunc.h
spglib-1.6.3/src/pointgroup.c
spglib-1.6.3/src/pointgroup.h
spglib-1.6.3/src/primitive.c
spglib-1.6.3/src/primitive.h
spglib-1.6.3/src/refinement.c
spglib-1.6.3/src/refinement.h
spglib-1.6.3/src/site_symmetry.c
spglib-1.6.3/src/site_symmetry.h
spglib-1.6.3/src/sitesym_database.c
spglib-1.6.3/src/sitesym_database.h
spglib-1.6.3/src/spacegroup.c
spglib-1.6.3/src/spacegroup.h
spglib-1.6.3/src/spg_database.c
spglib-1.6.3/src/spg_database.h
spglib-1.6.3/src/spglib.c
spglib-1.6.3/src/spglib.h
spglib-1.6.3/src/spglib_f.c
spglib-1.6.3/src/spin.c
spglib-1.6.3/src/spin.h
spglib-1.6.3/src/symmetry.c
spglib-1.6.3/src/symmetry.h
spglib-1.6.3/src/tetrahedron_method.c
spglib-1.6.3/src/tetrahedron_method.h
spglib-1.6.3/python/ase/
spglib-1.6.3/python/ase/_spglib.c
spglib-1.6.3/python/ase/doc/
spglib-1.6.3/python/ase/examples/
spglib-1.6.3/python/ase/MANIFEST.in
spglib-1.6.3/python/ase/pyspglib/
spglib-1.6.3/python/ase/setup.py
spglib-1.6.3/python/ase/test/
spglib-1.6.3/python/ase/test/atoms.py
spglib-1.6.3/python/ase/test/test_ir_triplets_at_q.py
spglib-1.6.3/python/ase/test/test_stabilized_reciprocal_mesh.py
spglib-1.6.3/python/ase/test/test_symmetry_with_spin.py
spglib-1.6.3/python/ase/test/vasp.py
spglib-1.6.3/python/ase/pyspglib/__init__.py
spglib-1.6.3/python/ase/pyspglib/spglib.py
spglib-1.6.3/python/ase/examples/example_ase.py
spglib-1.6.3/python/ase/examples/example_atoms.py
spglib-1.6.3/python/ase/doc/conf.py
spglib-1.6.3/python/ase/doc/index.rst
spglib-1.6.3/python/ase/doc/Makefile
spglib-1.6.3/m4/libtool.m4
spglib-1.6.3/m4/ltoptions.m4
spglib-1.6.3/m4/ltsugar.m4
spglib-1.6.3/m4/ltversion.m4
spglib-1.6.3/m4/lt~obsolete.m4
spglib-1.6.3/example/example.c
spglib-1.6.3/example/example.f90
spglib-1.6.3/example/example_f08.f90
spglib-1.6.3/example/frequency.dat
spglib-1.6.3/example/Makefile_f08
spglib-1.6.3/example/README
spglib-1.6.3/example/spglib_f08.f90
checking for a BSD-compatible install... /usr/bin/install -c
checking whether build environment is sane... yes
checking for a thread-safe mkdir -p... /bin/mkdir -p
checking for gawk... gawk
checking whether make sets $(MAKE)... yes
checking whether make supports nested variables... yes
checking for gcc... /opt/cray/craype/2.5.4/bin/cc
checking whether the C compiler works... yes
checking for C compiler default output file name... a.out
checking for suffix of executables...
checking whether we are cross compiling... no
checking for suffix of object files... o
checking whether we are using the GNU C compiler... yes
checking whether /opt/cray/craype/2.5.4/bin/cc accepts -g... yes
checking for /opt/cray/craype/2.5.4/bin/cc option to accept ISO C89... none needed
checking whether /opt/cray/craype/2.5.4/bin/cc understands -c and -o together... yes
checking for style of include used by make... GNU
checking dependency style of /opt/cray/craype/2.5.4/bin/cc... gcc3
checking build system type... x86_64-unknown-linux-gnu
checking host system type... x86_64-unknown-linux-gnu
checking how to print strings... printf
checking for a sed that does not truncate output... /usr/bin/sed
checking for grep that handles long lines and -e... /usr/bin/grep
checking for egrep... /usr/bin/grep -E
checking for fgrep... /usr/bin/grep -F
checking for ld used by /opt/cray/craype/2.5.4/bin/cc... /opt/cray/cce/8.5.5/cray-binutils/x86_64-pc-linux-gnu/bin/ld
checking if the linker (/opt/cray/cce/8.5.5/cray-binutils/x86_64-pc-linux-gnu/bin/ld) is GNU ld... yes
checking for BSD- or MS-compatible name lister (nm)... /opt/cray/cce/8.5.5/cray-binutils/x86_64-pc-linux-gnu/bin/nm -B
checking the name lister (/opt/cray/cce/8.5.5/cray-binutils/x86_64-pc-linux-gnu/bin/nm -B) interface... BSD nm
checking whether ln -s works... yes
checking the maximum length of command line arguments... 3458764513820540925
checking whether the shell understands some XSI constructs... yes
checking whether the shell understands "+="... yes
checking how to convert x86_64-unknown-linux-gnu file names to x86_64-unknown-linux-gnu format... func_convert_file_noop
checking how to convert x86_64-unknown-linux-gnu file names to toolchain format... func_convert_file_noop
checking for /opt/cray/cce/8.5.5/cray-binutils/x86_64-pc-linux-gnu/bin/ld option to reload object files... -r
checking for objdump... objdump
checking how to recognize dependent libraries... pass_all
checking for dlltool... no
checking how to associate runtime and link libraries... printf %s\n
checking for ar... ar
checking for archiver @FILE support... @
checking for strip... strip
checking for ranlib... ranlib
checking command to parse /opt/cray/cce/8.5.5/cray-binutils/x86_64-pc-linux-gnu/bin/nm -B output from /opt/cray/craype/2.5.4/bin/cc object... ok
checking for sysroot... no
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checking if mt is a manifest tool... no
checking how to run the C preprocessor... /opt/cray/craype/2.5.4/bin/cc -E
checking for ANSI C header files... yes
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checking for unistd.h... yes
checking for dlfcn.h... yes
checking for objdir... .libs
checking if /opt/cray/craype/2.5.4/bin/cc supports -fno-rtti -fno-exceptions... no
checking for /opt/cray/craype/2.5.4/bin/cc option to produce PIC... -fPIC -DPIC
checking if /opt/cray/craype/2.5.4/bin/cc PIC flag -fPIC -DPIC works... yes
checking if /opt/cray/craype/2.5.4/bin/cc static flag -static works... yes
checking if /opt/cray/craype/2.5.4/bin/cc supports -c -o file.o... yes
checking if /opt/cray/craype/2.5.4/bin/cc supports -c -o file.o... (cached) yes
checking whether the /opt/cray/craype/2.5.4/bin/cc linker (/opt/cray/cce/8.5.5/cray-binutils/x86_64-pc-linux-gnu/bin/ld -m elf_x86_64) supports shared libraries... yes
checking whether -lc should be explicitly linked in... no
checking dynamic linker characteristics... GNU/Linux ld.so
checking how to hardcode library paths into programs... immediate
checking whether stripping libraries is possible... yes
checking if libtool supports shared libraries... yes
checking whether to build shared libraries... yes
checking whether to build static libraries... yes
checking for sqrt... yes
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checking math.h usability... yes
checking math.h presence... yes
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checking for an ANSI C-conforming const... yes
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checking for GNU libc compatible malloc... yes
checking that generated files are newer than configure... done
configure: creating ./config.status
config.status: creating Makefile
config.status: creating src/Makefile
config.status: creating config.h
config.status: executing depfiles commands
config.status: executing libtool commands
make all-recursive
make[1]: Entering directory `/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/lib/spglib-1.6.3/lib64'
Making all in src
make[2]: Entering directory `/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/lib/spglib-1.6.3/lib64/src'
/bin/sh ../libtool --tag=CC --mode=compile /opt/cray/craype/2.5.4/bin/cc -DHAVE_CONFIG_H -I. -I/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/lib/spglib-1.6.3/src -I.. -g -O2 -MT cell.lo -MD -MP -MF .deps/cell.Tpo -c -o cell.lo /mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/lib/spglib-1.6.3/src/cell.c
libtool: compile: /opt/cray/craype/2.5.4/bin/cc -DHAVE_CONFIG_H -I. -I/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/lib/spglib-1.6.3/src -I.. -g -O2 -MT cell.lo -MD -MP -MF .deps/cell.Tpo -c /mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/lib/spglib-1.6.3/src/cell.c -fPIC -DPIC -o .libs/cell.o
libtool: compile: /opt/cray/craype/2.5.4/bin/cc -DHAVE_CONFIG_H -I. -I/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/lib/spglib-1.6.3/src -I.. -g -O2 -MT cell.lo -MD -MP -MF .deps/cell.Tpo -c /mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/lib/spglib-1.6.3/src/cell.c -o cell.o >/dev/null 2>&1
mv -f .deps/cell.Tpo .deps/cell.Plo
/bin/sh ../libtool --tag=CC --mode=compile /opt/cray/craype/2.5.4/bin/cc -DHAVE_CONFIG_H -I. -I/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/lib/spglib-1.6.3/src -I.. -g -O2 -MT debug.lo -MD -MP -MF .deps/debug.Tpo -c -o debug.lo /mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/lib/spglib-1.6.3/src/debug.c
libtool: compile: /opt/cray/craype/2.5.4/bin/cc -DHAVE_CONFIG_H -I. -I/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/lib/spglib-1.6.3/src -I.. -g -O2 -MT debug.lo -MD -MP -MF .deps/debug.Tpo -c /mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/lib/spglib-1.6.3/src/debug.c -fPIC -DPIC -o .libs/debug.o
libtool: compile: /opt/cray/craype/2.5.4/bin/cc -DHAVE_CONFIG_H -I. -I/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/lib/spglib-1.6.3/src -I.. -g -O2 -MT debug.lo -MD -MP -MF .deps/debug.Tpo -c /mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/lib/spglib-1.6.3/src/debug.c -o debug.o >/dev/null 2>&1
mv -f .deps/debug.Tpo .deps/debug.Plo
/bin/sh ../libtool --tag=CC --mode=compile /opt/cray/craype/2.5.4/bin/cc -DHAVE_CONFIG_H -I. -I/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/lib/spglib-1.6.3/src -I.. -g -O2 -MT hall_symbol.lo -MD -MP -MF .deps/hall_symbol.Tpo -c -o hall_symbol.lo /mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/lib/spglib-1.6.3/src/hall_symbol.c
libtool: compile: /opt/cray/craype/2.5.4/bin/cc -DHAVE_CONFIG_H -I. -I/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/lib/spglib-1.6.3/src -I.. -g -O2 -MT hall_symbol.lo -MD -MP -MF .deps/hall_symbol.Tpo -c /mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/lib/spglib-1.6.3/src/hall_symbol.c -fPIC -DPIC -o .libs/hall_symbol.o
libtool: compile: /opt/cray/craype/2.5.4/bin/cc -DHAVE_CONFIG_H -I. -I/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/lib/spglib-1.6.3/src -I.. -g -O2 -MT hall_symbol.lo -MD -MP -MF .deps/hall_symbol.Tpo -c /mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/lib/spglib-1.6.3/src/hall_symbol.c -o hall_symbol.o >/dev/null 2>&1
mv -f .deps/hall_symbol.Tpo .deps/hall_symbol.Plo
/bin/sh ../libtool --tag=CC --mode=compile /opt/cray/craype/2.5.4/bin/cc -DHAVE_CONFIG_H -I. -I/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/lib/spglib-1.6.3/src -I.. -g -O2 -MT kpoint.lo -MD -MP -MF .deps/kpoint.Tpo -c -o kpoint.lo /mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/lib/spglib-1.6.3/src/kpoint.c
libtool: compile: /opt/cray/craype/2.5.4/bin/cc -DHAVE_CONFIG_H -I. -I/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/lib/spglib-1.6.3/src -I.. -g -O2 -MT kpoint.lo -MD -MP -MF .deps/kpoint.Tpo -c /mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/lib/spglib-1.6.3/src/kpoint.c -fPIC -DPIC -o .libs/kpoint.o
libtool: compile: /opt/cray/craype/2.5.4/bin/cc -DHAVE_CONFIG_H -I. -I/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/lib/spglib-1.6.3/src -I.. -g -O2 -MT kpoint.lo -MD -MP -MF .deps/kpoint.Tpo -c /mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/lib/spglib-1.6.3/src/kpoint.c -o kpoint.o >/dev/null 2>&1
mv -f .deps/kpoint.Tpo .deps/kpoint.Plo
/bin/sh ../libtool --tag=CC --mode=compile /opt/cray/craype/2.5.4/bin/cc -DHAVE_CONFIG_H -I. -I/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/lib/spglib-1.6.3/src -I.. -g -O2 -MT lattice.lo -MD -MP -MF .deps/lattice.Tpo -c -o lattice.lo /mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/lib/spglib-1.6.3/src/lattice.c
libtool: compile: /opt/cray/craype/2.5.4/bin/cc -DHAVE_CONFIG_H -I. -I/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/lib/spglib-1.6.3/src -I.. -g -O2 -MT lattice.lo -MD -MP -MF .deps/lattice.Tpo -c /mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/lib/spglib-1.6.3/src/lattice.c -fPIC -DPIC -o .libs/lattice.o
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libtool: compile: /opt/cray/craype/2.5.4/bin/cc -DHAVE_CONFIG_H -I. -I/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/lib/spglib-1.6.3/src -I.. -g -O2 -MT tetrahedron_method.lo -MD -MP -MF .deps/tetrahedron_method.Tpo -c /mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/lib/spglib-1.6.3/src/tetrahedron_method.c -o tetrahedron_method.o >/dev/null 2>&1
mv -f .deps/tetrahedron_method.Tpo .deps/tetrahedron_method.Plo
/bin/sh ../libtool --tag=CC --mode=link /opt/cray/craype/2.5.4/bin/cc -g -O2 -o libsymspg.la -rpath /mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/lib/spglib-1.6.3/lib64 cell.lo debug.lo hall_symbol.lo kpoint.lo lattice.lo mathfunc.lo pointgroup.lo primitive.lo refinement.lo site_symmetry.lo sitesym_database.lo spacegroup.lo spg_database.lo spglib.lo spglib_f.lo spin.lo symmetry.lo tetrahedron_method.lo -lm
libtool: link: /opt/cray/craype/2.5.4/bin/cc -shared -fPIC -DPIC .libs/cell.o .libs/debug.o .libs/hall_symbol.o .libs/kpoint.o .libs/lattice.o .libs/mathfunc.o .libs/pointgroup.o .libs/primitive.o .libs/refinement.o .libs/site_symmetry.o .libs/sitesym_database.o .libs/spacegroup.o .libs/spg_database.o .libs/spglib.o .libs/spglib_f.o .libs/spin.o .libs/symmetry.o .libs/tetrahedron_method.o -lm -O2 -Wl,-soname -Wl,libsymspg.so.0 -o .libs/libsymspg.so.0.0.0
libtool: link: (cd ".libs" && rm -f "libsymspg.so.0" && ln -s "libsymspg.so.0.0.0" "libsymspg.so.0")
libtool: link: (cd ".libs" && rm -f "libsymspg.so" && ln -s "libsymspg.so.0.0.0" "libsymspg.so")
libtool: link: ar cru .libs/libsymspg.a cell.o debug.o hall_symbol.o kpoint.o lattice.o mathfunc.o pointgroup.o primitive.o refinement.o site_symmetry.o sitesym_database.o spacegroup.o spg_database.o spglib.o spglib_f.o spin.o symmetry.o tetrahedron_method.o
libtool: link: ranlib .libs/libsymspg.a
libtool: link: ( cd ".libs" && rm -f "libsymspg.la" && ln -s "../libsymspg.la" "libsymspg.la" )
make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/lib/spglib-1.6.3/lib64/src'
make[2]: Entering directory `/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/lib/spglib-1.6.3/lib64'
make[2]: Nothing to be done for `all-am'.
make[2]: Leaving directory `/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/lib/spglib-1.6.3/lib64'
make[1]: Leaving directory `/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/lib/spglib-1.6.3/lib64'
-- Found LIBSPG: /mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/lib/spglib-1.6.3/lib64/libsymspg.a
-- Found Subversion: /usr/bin/svn (found version "1.6.17")
CMake Warning (dev) at SubprojectIncludes/CMakeLists.txt.rmg.inc:5 (add_dependencies):
Policy CMP0046 is not set: Error on non-existent dependency in
add_dependencies. Run "cmake --help-policy CMP0046" for policy details.
Use the cmake_policy command to set the policy and suppress this warning.
The dependency target "libspg" of target "rmg-cpu" does not exist.
Call Stack (most recent call first):
CMakeLists.txt:589 (include)
This warning is for project developers. Use -Wno-dev to suppress it.
-- Configuring done
nice make -j12 rmg-cpu
-- Generating done
-- Build files have been written to: /mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/build-cpu
Scanning dependencies of target InternalPseudo
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Building CXX object MG/CMakeFiles/MG.dir/Mgrid_Cbindings.cpp.o
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/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/XC_useLIBXC/xcgga_libxc.c: In function 'xcgga_libxc':
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/XC_useLIBXC/xcgga_libxc.c:98:8: warning: 'func_id_c' may be used uninitialized in this function [-Wmaybe-uninitialized]
if(xc_func_init(&func_c, func_id_c, XC_UNPOLARIZED) != 0)
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/XC_useLIBXC/xcgga_libxc.c:95:8: warning: 'func_id_x' may be used uninitialized in this function [-Wmaybe-uninitialized]
if(xc_func_init(&func_x, func_id_x, XC_UNPOLARIZED) != 0)
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/XC_useLIBXC/xcgga_spin_libxc.c: In function 'xcgga_spin_libxc':
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/XC_useLIBXC/xcgga_spin_libxc.c:108:8: warning: 'func_id_c' may be used uninitialized in this function [-Wmaybe-uninitialized]
if(xc_func_init(&func_c, func_id_c, XC_POLARIZED) != 0)
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/XC_useLIBXC/xcgga_spin_libxc.c:101:8: warning: 'func_id_x' may be used uninitialized in this function [-Wmaybe-uninitialized]
if(xc_func_init(&func_x, func_id_x, XC_POLARIZED) != 0)
^
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Scanning dependencies of target Input
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Spin/XC_notuseLIBXC/gcxcpw91.c: In function 'gcxcpw91':
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Spin/XC_notuseLIBXC/gcxcpw91.c:34:6: warning: variable 'iflag' set but not used [-Wunused-but-set-variable]
int iflag;
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Spin/XC_notuseLIBXC/gcxcpw91.c: In function 'ggac_spin':
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Spin/XC_notuseLIBXC/gcxcpw91.c:149:52: warning: variable 'dh0dw' set but not used [-Wunused-but-set-variable]
double fz, fz2, fz3, fz4, dfz, bfup, bfdw, dh0up, dh0dw, dh0zup, dh0zdw, dh1zup, dh1zdw;
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/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/XC_useLIBXC/get_mgga_vxc.c: In function 'get_mgga_vxc':
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/XC_useLIBXC/get_mgga_vxc.c:14:26: warning: 'nrho_oppo' may be used uninitialized in this function [-Wmaybe-uninitialized]
double *exc, *nrho, *nrho_oppo;
^
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Building Fortran object XC/CMakeFiles/XC1.dir/functionals.F90.o
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/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Spin/XC_notuseLIBXC/pbex.c: In function 'pbec_spin':
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Spin/XC_notuseLIBXC/pbex.c:84:23: warning: variable 'fz4' set but not used [-Wunused-but-set-variable]
double fz, fz2, fz3, fz4, dfz, bfup, bfdw, dh0up, dh0dw, dh0zup, dh0zdw;
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/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/XC_useLIBXC/get_te_tau.c: In function 'get_te_tau':
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/XC_useLIBXC/get_te_tau.c:16:26: warning: 'nrho_oppo' may be used uninitialized in this function [-Wmaybe-uninitialized]
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/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/XC_useLIBXC/mix_tau.c:14:37: warning: unused variable 'residhist' [-Wunused-variable]
static double **rhohist=NULL, **residhist=NULL;
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/XC_useLIBXC/mix_tau.c:14:21: warning: unused variable 'rhohist' [-Wunused-variable]
static double **rhohist=NULL, **residhist=NULL;
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/XC_useLIBXC/mix_tau.c:13:9: warning: unused variable 'step' [-Wunused-variable]
int step, inc = 1;
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/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/XC/vdw_correlation.cpp: In constructor 'Vdw::Vdw(BaseGrid&, Lattice&, TradeImages&, int, double*, double*, double&, double&, double*, bool)':
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/XC/vdw_correlation.cpp:192:10: warning: variable 'filter_ratio' set but not used [-Wunused-but-set-variable]
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/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/XC/vdw_correlation.cpp: In constructor 'Vdw::Vdw(BaseGrid&, Lattice&, TradeImages&, int, double*, double*, double&, double&, double*, bool)':
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/XC/vdw_correlation.cpp:393:59: warning: 'calc_rho' may be used uninitialized in this function [-Wmaybe-uninitialized]
GetVtotPsi (calc_rho, total_rho, G.default_FG_RATIO);
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/XC/vdw_correlation.cpp:394:51: warning: 'calc_gx' may be used uninitialized in this function [-Wmaybe-uninitialized]
GetVtotPsi (calc_gx, gx, G.default_FG_RATIO);
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/XC/vdw_correlation.cpp:395:51: warning: 'calc_gy' may be used uninitialized in this function [-Wmaybe-uninitialized]
GetVtotPsi (calc_gy, gy, G.default_FG_RATIO);
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/XC/vdw_correlation.cpp:396:51: warning: 'calc_gz' may be used uninitialized in this function [-Wmaybe-uninitialized]
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/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RmgLib/src/BaseThread.cpp: In constructor 'BaseThread::BaseThread(int)':
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RmgLib/src/BaseThread.cpp:62:9: warning: unused variable 'ncpus' [-Wunused-variable]
int ncpus;
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[ 27%] Building CXX object US_PP/CMakeFiles/US_PP.dir/InitClebschGordan.cpp.o
[ 27%] Building CXX object US_PP/CMakeFiles/US_PP.dir/Ylm.cpp.o
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Subdiag/Subdiag_Scalapack.cpp: In instantiation of 'char* Subdiag_Scalapack(Kpoint<StateType>*, KpointType*, KpointType*, KpointType*, double*, KpointType*) [with KpointType = double]':
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Subdiag/Subdiag_Scalapack.cpp:50:137: required from here
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Subdiag/Subdiag_Scalapack.cpp:228:23: warning: unused variable 'range' [-Wunused-variable]
char *range = "a";
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Subdiag/Subdiag_Scalapack.cpp:68:18: warning: unused variable 'trans_t' [-Wunused-variable]
static char *trans_t = "t";
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Subdiag/Subdiag_Scalapack.cpp:75:9: warning: variable 'izero' set but not used [-Wunused-but-set-variable]
int izero = 0;
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Subdiag/Subdiag_Scalapack.cpp: In instantiation of 'char* Subdiag_Scalapack(Kpoint<StateType>*, KpointType*, KpointType*, KpointType*, double*, KpointType*) [with KpointType = std::complex<double>]':
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Subdiag/Subdiag_Scalapack.cpp:51:222: required from here
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Subdiag/Subdiag_Scalapack.cpp:228:23: warning: unused variable 'range' [-Wunused-variable]
char *range = "a";
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Subdiag/Subdiag_Scalapack.cpp:68:18: warning: unused variable 'trans_t' [-Wunused-variable]
static char *trans_t = "t";
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Subdiag/Subdiag_Scalapack.cpp:75:9: warning: variable 'izero' set but not used [-Wunused-but-set-variable]
int izero = 0;
^
[ 27%] Building CXX object Misc/CMakeFiles/Misc.dir/PfftInverse.cpp.o
[ 28%] Building CXX object RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/FoldedSpectrum.cpp.o
[ 28%] Building CXX object RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/FoldedSpectrumScalapack.cpp.o
[ 28%] Building CXX object Input/CMakeFiles/Input.dir/ReadForces.cpp.o
[ 28%] Building CXX object Input/CMakeFiles/Input.dir/ReadVelocities.cpp.o
[ 28%] Building CXX object Finite_diff/CMakeFiles/Finite_diff.dir/AppCilrDriver.cpp.o
[ 28%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/ApplyHamiltonian.cpp.o
[ 28%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/ApplyHamiltonianBlock.cpp.o
[ 29%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/Davidson.cpp.o
[ 29%] Building CXX object US_PP/CMakeFiles/US_PP.dir/CubicHarmonic.cpp.o
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Subdiag/FoldedSpectrum.cpp: In instantiation of 'int FoldedSpectrum(Kpoint<StateType>*, int, KpointType*, int, KpointType*, int, double*, double*, int, int*, int, KpointType*, int) [with KpointType = double]':
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Subdiag/FoldedSpectrum.cpp:71:141: required from here
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Subdiag/FoldedSpectrum.cpp:81:16: warning: unused variable 'ZERO_t' [-Wunused-variable]
KpointType ZERO_t(0.0);
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Subdiag/FoldedSpectrum.cpp:85:14: warning: unused variable 'L' [-Wunused-variable]
Lattice *L = kptr->L;
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Subdiag/FoldedSpectrum.cpp:88:11: warning: unused variable 'trans_t' [-Wunused-variable]
char *trans_t="t", *trans_n="n";
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Subdiag/FoldedSpectrum.cpp:88:25: warning: unused variable 'trans_n' [-Wunused-variable]
char *trans_t="t", *trans_n="n";
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Subdiag/FoldedSpectrum.cpp:89:25: warning: unused variable 'side' [-Wunused-variable]
char *cuplo = "l", *side="l", *diag="n", *jobz="V";
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Subdiag/FoldedSpectrum.cpp:89:36: warning: unused variable 'diag' [-Wunused-variable]
char *cuplo = "l", *side="l", *diag="n", *jobz="V";
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Subdiag/FoldedSpectrum.cpp:91:9: warning: unused variable 'ione' [-Wunused-variable]
int ione=1, itype=1, info=0;
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Subdiag/FoldedSpectrum.cpp:91:17: warning: unused variable 'itype' [-Wunused-variable]
int ione=1, itype=1, info=0;
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Subdiag/FoldedSpectrum.cpp:92:12: warning: unused variable 'rone' [-Wunused-variable]
double rone = 1.0;
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Subdiag/FoldedSpectrum.cpp:140:17: warning: unused variable 'NULLptr' [-Wunused-variable]
KpointType *NULLptr = NULL;
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Subdiag/FoldedSpectrumScalapack.cpp: In instantiation of 'int FoldedSpectrumScalapack(Kpoint<StateType>*, int, KpointType*, KpointType*, int, KpointType*, int, double*, KpointType*, Scalapack*, int, int) [with KpointType = double]':
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Subdiag/FoldedSpectrumScalapack.cpp:73:150: required from here
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Subdiag/FoldedSpectrumScalapack.cpp:82:15: warning: unused variable 'RT1' [-Wunused-variable]
RmgTimer *RT1, *RT2;
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Subdiag/FoldedSpectrumScalapack.cpp:86:17: warning: unused variable 'NULLptr' [-Wunused-variable]
KpointType *NULLptr = NULL;
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Subdiag/FoldedSpectrumScalapack.cpp:88:11: warning: unused variable 'trans_t' [-Wunused-variable]
char *trans_t="t", *trans_n="n";
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Subdiag/FoldedSpectrumScalapack.cpp:88:25: warning: unused variable 'trans_n' [-Wunused-variable]
char *trans_t="t", *trans_n="n";
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Subdiag/FoldedSpectrumScalapack.cpp:91:17: warning: unused variable 'itype' [-Wunused-variable]
int ione=1, itype=1, info=0, izero=0;
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Subdiag/FoldedSpectrumScalapack.cpp:94:15: warning: unused variable 'Grid' [-Wunused-variable]
BaseGrid *Grid = kptr->G;
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Subdiag/FoldedSpectrumScalapack.cpp:95:14: warning: unused variable 'L' [-Wunused-variable]
Lattice *L = kptr->L;
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Subdiag/FoldedSpectrumScalapack.cpp:105:9: warning: unused variable 'FSp_my_col' [-Wunused-variable]
int FSp_my_col = FSp->GetCol();
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Subdiag/FoldedSpectrumScalapack.cpp:111:14: warning: unused variable 'scalapack_comm' [-Wunused-variable]
MPI_Comm scalapack_comm = FSp->GetComm();
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Subdiag/FoldedSpectrumScalapack.cpp:118:10: warning: unused variable 'm_f_desca' [-Wunused-variable]
int *m_f_desca = MainSp->GetDistDesca();
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Subdiag/FoldedSpectrumScalapack.cpp:147:9: warning: unused variable 's_s_dist_length' [-Wunused-variable]
int s_s_dist_length = FSp->ComputeDesca(n_win, n_win, s_s_desca);
^
Linking CXX static library libInternalPseudo.a
[ 29%] Built target InternalPseudo
[ 30%] Building CXX object US_PP/CMakeFiles/US_PP.dir/InitWeight.cpp.o
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/US_PP/CubicHarmonic.cpp: In function 'double CubicHarmonic(int, int, double*)':
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/US_PP/CubicHarmonic.cpp:21:37: warning: unused variable 'm_spherical' [-Wunused-variable]
double xymod, rmod, theta, phi, m_spherical;
^
[ 31%] Building CXX object Misc/CMakeFiles/Misc.dir/GeneralDiag.cpp.o
[ 31%] Building C object Finite_diff/CMakeFiles/Finite_diff.dir/app_cir_beta_fourth.c.o
[ 31%] Building CXX object US_PP/CMakeFiles/US_PP.dir/InitWeightOne.cpp.o
[ 31%] Building CXX object RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/FoldedSpectrumIterator.cpp.o
[ 32%] [ 32%] Building CXX object RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/FoldedSpectrumSetup.cpp.o
Building CXX object US_PP/CMakeFiles/US_PP.dir/InitLocalForward.cpp.o
[ 32%] [ 32%] Building C object Finite_diff/CMakeFiles/Finite_diff.dir/app_cir_fcc.c.o
Building CXX object RmgLib/CMakeFiles/RmgLib.dir/src/app_cil_driver.cpp.o
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/Input/ReadVelocities.cpp: In function 'void ReadVelocities(char*, CONTROL&, std::unordered_map<std::basic_string<char>, InputKey*>&)':
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/Input/ReadVelocities.cpp:62:26: warning: comparison between signed and unsigned integer expressions [-Wsign-compare]
if(Velocities.size() != lc.num_ions) {
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/Input/ReadForces.cpp: In function 'void ReadForces(char*, CONTROL&, std::unordered_map<std::basic_string<char>, InputKey*>&)':
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/Input/ReadForces.cpp:62:22: warning: comparison between signed and unsigned integer expressions [-Wsign-compare]
if(Forces.size() != 4 * lc.num_ions) {
^
[ 32%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/MgridSubspace.cpp.o
[ 33%] Building C object Finite_diff/CMakeFiles/Finite_diff.dir/app_cir_ortho.c.o
[ 33%] Building C object Finite_diff/CMakeFiles/Finite_diff.dir/app_cir_bcc.c.o
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/Misc/GeneralDiag.cpp: In function 'int GeneralDiagScaLapack(double*, double*, double*, double*, int, int, int)':
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/Misc/GeneralDiag.cpp:218:9: warning: unused variable 'scalapack_npes' [-Wunused-variable]
int scalapack_npes = scalapack_nprow * scalapack_npcol;
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/Misc/GeneralDiag.cpp:219:9: warning: unused variable 'root_npes' [-Wunused-variable]
int root_npes = MainSp->GetRootNpes();
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Subdiag/FoldedSpectrumIterator.cpp: In function 'void FoldedSpectrumIterator(double*, int, double*, int, double*, double, int, int)':
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Subdiag/FoldedSpectrumIterator.cpp:59:9: warning: unused variable 'ione' [-Wunused-variable]
int ione = 1;
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Subdiag/FoldedSpectrumIterator.cpp:65:9: warning: unused variable 'sizr' [-Wunused-variable]
int sizr = n * k;
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Subdiag/FoldedSpectrumIterator.cpp:68:13: warning: unused variable 'Tgpu' [-Wunused-variable]
double *Tgpu = NULL;
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Subdiag/FoldedSpectrumIterator.cpp:69:13: warning: unused variable 'eigs_gpu' [-Wunused-variable]
double *eigs_gpu = NULL;
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/Misc/GeneralDiag.cpp: In instantiation of 'int GeneralDiagLapack(KpointType*, KpointType*, double*, KpointType*, int, int, int) [with KpointType = double]':
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/Misc/GeneralDiag.cpp:111:107: required from here
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/Misc/GeneralDiag.cpp:119:10: warning: unused variable 'use_folded' [-Wunused-variable]
bool use_folded = ((ct.use_folded_spectrum && (ct.scf_steps > 6)) || (ct.use_folded_spectrum && (ct.runflag == RESTART)));
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/Misc/GeneralDiag.cpp: In instantiation of 'int GeneralDiagLapack(KpointType*, KpointType*, double*, KpointType*, int, int, int) [with KpointType = std::complex<double>]':
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/Misc/GeneralDiag.cpp:113:21: required from here
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/Misc/GeneralDiag.cpp:119:10: warning: unused variable 'use_folded' [-Wunused-variable]
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/US_PP/InitWeightOne.cpp: In function 'void InitWeightOne(SPECIES*, double (*)[2], std::complex<double>*, int, int, int, fftw_plan, fftw_plan)':
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/US_PP/InitWeightOne.cpp:29:12: warning: unused variable 'r' [-Wunused-variable]
double r, ax[3], bx[3];
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/US_PP/InitWeightOne.cpp:29:22: warning: unused variable 'bx' [-Wunused-variable]
double r, ax[3], bx[3];
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/US_PP/InitWeightOne.cpp:38:12: warning: unused variable 'xside' [-Wunused-variable]
double xside = get_xside();
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/US_PP/InitWeightOne.cpp:39:12: warning: unused variable 'yside' [-Wunused-variable]
double yside = get_yside();
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/US_PP/InitWeightOne.cpp:40:12: warning: unused variable 'zside' [-Wunused-variable]
double zside = get_zside();
^
[ 34%] Building CXX object Input/CMakeFiles/Input.dir/ReadInit.cpp.o
[ 34%] Building C object Finite_diff/CMakeFiles/Finite_diff.dir/app_cir_beta_sixth.c.o
[ 35%] [ 35%] Building CXX object Finite_diff/CMakeFiles/Finite_diff.dir/FiniteDiff_Cbindings.cpp.o
Building C object Finite_diff/CMakeFiles/Finite_diff.dir/app_cir_driver.c.o
[ 35%] Building CXX object Finite_diff/CMakeFiles/Finite_diff.dir/app_cir_fcc.cpp.o
[ 35%] Building CXX object Finite_diff/CMakeFiles/Finite_diff.dir/app_cir_bcc.cpp.o
[ 35%] [ 36%] Building CXX object RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/Rmg_dsygvd_gpu.cpp.o
Building CXX object RmgLib/CMakeFiles/RmgLib.dir/src/app_cil_driver_threaded.cpp.o
[ 36%] Building CXX object RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/Rmg_zhegvd_gpu.cpp.o
[ 36%] Building CXX object RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/FoldedSpectrumGSE.cpp.o
[ 36%] Building CXX object US_PP/CMakeFiles/US_PP.dir/InitLocalBackward.cpp.o
[ 36%] Building CXX object Misc/CMakeFiles/Misc.dir/VhPfft.cpp.o
[ 36%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/MolecularDynamics.cpp.o
[ 36%] Building CXX object Misc/CMakeFiles/Misc.dir/Fft_Cbindings.cpp.o
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/US_PP/InitLocalBackward.cpp: In function 'void InitLocalBackward(double*, double*, double*)':
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/US_PP/InitLocalBackward.cpp:42:15: warning: variable 'Zv' set but not used [-Wunused-but-set-variable]
double r, Zv, rc, rc2, rcnorm, t1;
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/US_PP/InitLocalBackward.cpp:42:23: warning: variable 'rc2' set but not used [-Wunused-but-set-variable]
double r, Zv, rc, rc2, rcnorm, t1;
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/US_PP/InitLocalBackward.cpp:43:12: warning: unused variable 'x' [-Wunused-variable]
double x[3];
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/US_PP/InitLocalBackward.cpp:45:12: warning: variable 'xside' set but not used [-Wunused-but-set-variable]
double xside, yside, zside;
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/US_PP/InitLocalBackward.cpp:45:19: warning: variable 'yside' set but not used [-Wunused-but-set-variable]
double xside, yside, zside;
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/US_PP/InitLocalBackward.cpp:45:26: warning: variable 'zside' set but not used [-Wunused-but-set-variable]
double xside, yside, zside;
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/US_PP/InitLocalBackward.cpp:53:9: warning: unused variable 'npes' [-Wunused-variable]
int npes = get_PE_X() * get_PE_Y() * get_PE_Z();
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Subdiag/FoldedSpectrumGSE.cpp: In instantiation of 'void FoldedSpectrumGSE(DataType*, DataType*, DataType*, int, int, int, int*, int*, int, int, MPI_Comm&) [with DataType = double; MPI_Comm = int]':
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Subdiag/FoldedSpectrumGSE.cpp:61:121: required from here
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Subdiag/FoldedSpectrumGSE.cpp:77:11: warning: unused variable 'trans_t' [-Wunused-variable]
char *trans_t = "t";
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Subdiag/FoldedSpectrumGSE.cpp:78:10: warning: unused variable 'usecuxt' [-Wunused-variable]
bool usecuxt = true;
^
In file included from /mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/US_PP/InitLocalBackward.cpp:21:0:
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/Headers/AtomicInterpolate.h:42:5: warning: 'r' may be used uninitialized in this function [-Wmaybe-uninitialized]
if((r < LOGGRID_START)) {
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/US_PP/InitLocalBackward.cpp:42:12: note: 'r' was declared here
double r, Zv, rc, rc2, rcnorm, t1;
^
[ 36%] Building CXX object Misc/CMakeFiles/Misc.dir/GetVtotPsi.cpp.o
[ 36%] Building CXX object RmgLib/CMakeFiles/RmgLib.dir/src/app_grad_driver.cpp.o
[ 38%] [ 38%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/GetAugRho.cpp.o
Building CXX object Misc/CMakeFiles/Misc.dir/FftInitPlans.cpp.o
[ 40%] Building CXX object US_PP/CMakeFiles/US_PP.dir/FindFftwPhaseLocalpp.cpp.o
[ 41%] Building C object Finite_diff/CMakeFiles/Finite_diff.dir/app_grad.c.o
[ 41%] Building C object Finite_diff/CMakeFiles/Finite_diff.dir/app6_del2.c.o
[ 42%] Building CXX object RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/FoldedSpectrumScalapackGSE.cpp.o
[ 42%] [ 42%] Building CXX object RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/FoldedSpectrumOrtho.cpp.o
Building CXX object RMG/Subdiag/CMakeFiles/RMG_Subdiag.dir/FoldedSpectrumScalapackOrtho.cpp.o
Linking CXX static library libFinite_diff.a
[ 42%] Built target Finite_diff
[ 42%] Building CXX object US_PP/CMakeFiles/US_PP.dir/Radius2grid.cpp.o
[ 42%] Building CXX object US_PP/CMakeFiles/US_PP.dir/FindPhase.cpp.o
[ 42%] Building CXX object Misc/CMakeFiles/Misc.dir/FftFreqBin.cpp.o
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Subdiag/FoldedSpectrumOrtho.cpp: In instantiation of 'void FoldedSpectrumOrtho(int, int, int, int*, int*, KpointType*, KpointType*, int, MPI_Comm&) [with KpointType = double; MPI_Comm = int]':
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Subdiag/FoldedSpectrumOrtho.cpp:57:108: required from here
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Subdiag/FoldedSpectrumOrtho.cpp:64:12: warning: unused variable 'rzero' [-Wunused-variable]
double rzero = 0.0;
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Subdiag/FoldedSpectrumOrtho.cpp:65:12: warning: unused variable 'rone' [-Wunused-variable]
double rone = 1.0;
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Subdiag/FoldedSpectrumOrtho.cpp:82:53: warning: unused variable 'side' [-Wunused-variable]
char *trans_t="t", *trans_n="n", *cuplo = "l", *side = "l";
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Subdiag/FoldedSpectrumOrtho.cpp:140:14: warning: variable 'omp_tid' set but not used [-Wunused-but-set-variable]
int idx, omp_tid;
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Subdiag/FoldedSpectrumOrtho.cpp:142:13: warning: variable 'st1' set but not used [-Wunused-but-set-variable]
int st, st1;
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Subdiag/FoldedSpectrumScalapackOrtho.cpp: In instantiation of 'void FoldedSpectrumScalapackOrtho(int, int, int, int*, int*, KpointType*, KpointType*, KpointType*, KpointType*, KpointType*, Scalapack*) [with KpointType = double]':
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Subdiag/FoldedSpectrumScalapackOrtho.cpp:57:143: required from here
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Subdiag/FoldedSpectrumScalapackOrtho.cpp:65:17: warning: unused variable 'NULLptr' [-Wunused-variable]
KpointType *NULLptr = NULL;
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Subdiag/FoldedSpectrumScalapackOrtho.cpp:86:53: warning: unused variable 'side' [-Wunused-variable]
char *trans_t="t", *trans_n="n", *cuplo = "l", *side = "l";
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Subdiag/FoldedSpectrumScalapackOrtho.cpp:102:9: warning: unused variable 'FSp_nodes' [-Wunused-variable]
int FSp_nodes = FSp_rows * FSp_cols;
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Subdiag/FoldedSpectrumScalapackOrtho.cpp:103:9: warning: unused variable 'FSp_context' [-Wunused-variable]
int FSp_context = FSp->GetContext();
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Subdiag/FoldedSpectrumScalapackOrtho.cpp:104:9: warning: unused variable 'FSp_my_index' [-Wunused-variable]
int FSp_my_index = FSp_my_row*FSp_cols + FSp_my_col;
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Subdiag/FoldedSpectrumScalapackOrtho.cpp:166:14: warning: variable 'omp_tid' set but not used [-Wunused-but-set-variable]
int idx, omp_tid;
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Subdiag/FoldedSpectrumScalapackOrtho.cpp:168:13: warning: variable 'st1' set but not used [-Wunused-but-set-variable]
int st, st1;
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Subdiag/FoldedSpectrumScalapackGSE.cpp: In instantiation of 'void FoldedSpectrumScalapackGSE(DataType*, DataType*, DataType*, int, int, int, int*, int*, int, Scalapack*) [with DataType = double]':
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Subdiag/FoldedSpectrumScalapackGSE.cpp:62:132: required from here
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Subdiag/FoldedSpectrumScalapackGSE.cpp:81:11: warning: unused variable 'trans_t' [-Wunused-variable]
char *trans_t = "t";
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Subdiag/FoldedSpectrumScalapackGSE.cpp:85:9: warning: unused variable 'THIS_PE' [-Wunused-variable]
int THIS_PE = FSp->GetGroupIndex();
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Subdiag/FoldedSpectrumScalapackGSE.cpp:86:9: warning: unused variable 'my_root_index' [-Wunused-variable]
int my_root_index = MainSp->GetCommRank();
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Subdiag/FoldedSpectrumScalapackGSE.cpp:89:10: warning: unused variable 'm_f_desca' [-Wunused-variable]
int *m_f_desca = MainSp->GetDistDesca();
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Subdiag/FoldedSpectrumScalapackGSE.cpp:90:9: warning: unused variable 'm_f_dist_length' [-Wunused-variable]
int m_f_dist_length = MainSp->ComputeMdim(n) * MainSp->ComputeNdim(n);
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Subdiag/FoldedSpectrumScalapackGSE.cpp:96:9: warning: unused variable 's_f_dist_length' [-Wunused-variable]
int s_f_dist_length = FSp->ComputeDesca(n, n, s_f_desca);
^
[ 42%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/MixRho.cpp.o
[ 42%] Building CXX object Input/CMakeFiles/Input.dir/ReadRmgAtoms.cpp.o
[ 42%] Building CXX object RmgLib/CMakeFiles/RmgLib.dir/src/app_del2_driver.cpp.o
[ 42%] Building CXX object Input/CMakeFiles/Input.dir/ReadDynamics.cpp.o
[ 42%] Building CXX object Input/CMakeFiles/Input.dir/ReadKpoints.cpp.o
[ 43%] Building CXX object Input/CMakeFiles/Input.dir/ReadKpointsBandstructure.cpp.o
[ 44%] Building CXX object US_PP/CMakeFiles/US_PP.dir/Atomic.cpp.o
[ 44%] Building CXX object RmgLib/CMakeFiles/RmgLib.dir/src/FiniteDiff.cpp.o
Linking CXX static library libRMG_Subdiag.a
[ 44%] Building CXX object Input/CMakeFiles/Input.dir/Verify.cpp.o
[ 44%] Building CXX object Misc/CMakeFiles/Misc.dir/FftFilter.cpp.o
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/Input/ReadRmgAtoms.cpp:32:27: fatal error: openbabel/mol.h: No such file or directory
#include <openbabel/mol.h>
^
compilation terminated.
make[3]: *** [Input/CMakeFiles/Input.dir/ReadRmgAtoms.cpp.o] Error 1
make[3]: *** Waiting for unfinished jobs....
[ 44%] Built target RMG_Subdiag
[ 44%] [ 44%] [ 45%] Building CXX object Input/CMakeFiles/Input.dir/InputKey.cpp.o
Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/WriteData.cpp.o
Building CXX object Misc/CMakeFiles/Misc.dir/FftLaplacian.cpp.o
[ 46%] Building CXX object RmgLib/CMakeFiles/RmgLib.dir/src/RmgTimer.cpp.o
[ 46%] Building CXX object RmgLib/CMakeFiles/RmgLib.dir/src/RmgPrintTimings.cpp.o
[ 46%] Building CXX object RmgLib/CMakeFiles/RmgLib.dir/src/RmgSumAll.cpp.o
Scanning dependencies of target Force
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RmgLib/src/RmgPrintTimings.cpp: In function 'void RmgPrintTimings(MPI_Comm, const char*, int, int)':
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RmgLib/src/RmgPrintTimings.cpp:21:12: warning: unused variable 'time1' [-Wunused-variable]
double time1, time2;
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RmgLib/src/RmgPrintTimings.cpp:21:19: warning: unused variable 'time2' [-Wunused-variable]
double time1, time2;
^
[ 46%] Building CXX object US_PP/CMakeFiles/US_PP.dir/Atomic_Cbindings.cpp.o
[ 46%] Building CXX object Force/CMakeFiles/Force.dir/CorrectForces.cpp.o
[ 46%] Building CXX object US_PP/CMakeFiles/US_PP.dir/InitPseudo.cpp.o
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/US_PP/Atomic.cpp: In member function 'void Atomic::InitBessel(double*, int, int, double*)':
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/US_PP/Atomic.cpp:592:9: warning: unused variable 'istep' [-Wunused-variable]
int istep;
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/US_PP/Atomic.cpp:594:9: warning: unused variable 'npes' [-Wunused-variable]
int npes = Rmg_G->get_PE_X() * Rmg_G->get_PE_Y() * Rmg_G->get_PE_Z();
^
[ 46%] Building CXX object US_PP/CMakeFiles/US_PP.dir/InitQfunct.cpp.o
[ 46%] Building CXX object Misc/CMakeFiles/Misc.dir/FftGradient.cpp.o
[ 46%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/WriteBGW.cpp.o
[ 47%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/MixBetaxpsi1.cpp.o
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/Force/CorrectForces.cpp: In function 'void CorrectForces(double*, double*, double*, double*, double*)':
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/Force/CorrectForces.cpp:57:45: warning: unused variable 'mone' [-Wunused-variable]
double alpha = get_vel_f(), zero = 0.0, mone = -1.0;
^
make[2]: *** [Input/CMakeFiles/Input.dir/all] Error 2
make[2]: *** Waiting for unfinished jobs....
[ 47%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/WriteRestart.cpp.o
[ 47%] 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
[ 49%] Building CXX object Force/CMakeFiles/Force.dir/Lforce.cpp.o
[ 49%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/ReadData.cpp.o
[ 49%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/OutputBandPlot.cpp.o
[ 50%] Building CXX object US_PP/CMakeFiles/US_PP.dir/US_Cbindings.cpp.o
[ 50%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/AppCirDriverBeta.cpp.o
[ 50%] Building CXX object Misc/CMakeFiles/Misc.dir/FftInterpolation.cpp.o
[ 51%] Building CXX object Misc/CMakeFiles/Misc.dir/FftRestrict.cpp.o
[ 51%] [ 52%] Building CXX object Misc/CMakeFiles/Misc.dir/CountAtomicOrbitals.cpp.o
Building CXX object RmgLib/CMakeFiles/RmgLib.dir/src/RmgMaxAll.cpp.o
[ 52%] Building CXX object RmgLib/CMakeFiles/RmgLib.dir/src/rmg_error.cpp.o
[ 53%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/AssignWeight.cpp.o
[ 53%] [ 53%] Building CXX object RmgLib/CMakeFiles/RmgLib.dir/src/get_vh.cpp.o
Building C object Force/CMakeFiles/Force.dir/constrain.c.o
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/Force/constrain.c: In function 'constrain':
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/Force/constrain.c:443:51: warning: 'iptr' may be used uninitialized in this function [-Wmaybe-uninitialized]
iptr->constraint.forcemask[Y] = (Mag_T - FdotT) * Tau[3*ion+Y];
^
[ 54%] Building CXX object RmgLib/CMakeFiles/RmgLib.dir/src/packfuncs.cpp.o
[ 54%] Building CXX object Force/CMakeFiles/Force.dir/Force.cpp.o
[ 54%] Building C object US_PP/CMakeFiles/US_PP.dir/lcao_get_rho.c.o
[ 55%] Building C object Force/CMakeFiles/Force.dir/iiforce.c.o
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/Force/iiforce.c: In function 'iiforce':
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/Force/iiforce.c:49:20: warning: unused variable 'tz' [-Wunused-variable]
double tx, ty, tz;
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/Force/iiforce.c:49:16: warning: unused variable 'ty' [-Wunused-variable]
double tx, ty, tz;
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/Force/iiforce.c:49:12: warning: unused variable 'tx' [-Wunused-variable]
double tx, ty, tz;
^
[ 55%] Building C object US_PP/CMakeFiles/US_PP.dir/init_nuc.c.o
[ 55%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/GetWeight.cpp.o
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Common/OutputBandPlot.cpp: In instantiation of 'void OutputBandPlot(Kpoint<StateType>**) [with KpointType = double]':
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Common/OutputBandPlot.cpp:51:47: required from here
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Common/OutputBandPlot.cpp:142:19: warning: unused variable 'line_object' [-Wunused-variable]
char *line_object;
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Common/OutputBandPlot.cpp:59:30: warning: unused variable 'pngfile' [-Wunused-variable]
char filename[MAX_PATH], pngfile[MAX_PATH];
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Common/OutputBandPlot.cpp: In instantiation of 'void OutputBandPlot(Kpoint<StateType>**) [with KpointType = std::complex<double>]':
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Common/OutputBandPlot.cpp:52:62: required from here
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Common/OutputBandPlot.cpp:142:19: warning: unused variable 'line_object' [-Wunused-variable]
char *line_object;
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Common/OutputBandPlot.cpp:59:30: warning: unused variable 'pngfile' [-Wunused-variable]
char filename[MAX_PATH], pngfile[MAX_PATH];
^
[ 56%] Building C object US_PP/CMakeFiles/US_PP.dir/init_efield.c.o
[ 56%] [ 56%] [ 56%] Building CXX object Force/CMakeFiles/Force.dir/Nlccforce.cpp.o
Building CXX object Misc/CMakeFiles/Misc.dir/FilenameIncrement.cpp.o
Building C object US_PP/CMakeFiles/US_PP.dir/weight_shift_center.c.o
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/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Common/GetWeight.cpp: In instantiation of 'void GetWeight(Kpoint<StateType>**) [with KpointType = double]':
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Common/GetWeight.cpp:38:55: required from here
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Common/GetWeight.cpp:105:17: warning: unused variable 'size' [-Wunused-variable]
int size = nlxdim * nlydim * nlzdim;
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Common/GetWeight.cpp: In instantiation of 'void GetWeight(Kpoint<StateType>**) [with KpointType = std::complex<double>]':
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Common/GetWeight.cpp:39:83: required from here
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Common/GetWeight.cpp:105:17: warning: unused variable 'size' [-Wunused-variable]
[ 57%] Building C object Misc/CMakeFiles/Misc.dir/open_restart_file.c.o
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Linking CXX static library libRmgLib.a
[ 58%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/GetNlop.cpp.o
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Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/ReinitIonicPotentials.cpp.o
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/Misc/open_restart_file.c: In function 'open_restart_file':
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/Misc/open_restart_file.c:67:5: warning: suggest explicit braces to avoid ambiguous 'else' [-Wparentheses]
if (!mkdir (dirname (tmpname), S_IRWXU))
^
[ 60%] Building C object US_PP/CMakeFiles/US_PP.dir/linint.c.o
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[ 61%] [ 61%] Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/GetNewRho.cpp.o
Building C object US_PP/CMakeFiles/US_PP.dir/get_QnmL.c.o
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/Misc/Scalapack.cpp: In constructor 'Scalapack::Scalapack(int, int, int, int, int, int, MPI_Comm)':
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/Misc/Scalapack.cpp:115:9: warning: unused variable 'item' [-Wunused-variable]
int item = thisimg % images_per_node;
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/Misc/LinePlot.cpp:15:22: fatal error: plstream.h: No such file or directory
#include <plstream.h>
^
compilation terminated.
make[3]: *** [Misc/CMakeFiles/Misc.dir/LinePlot.cpp.o] Error 1
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Building C object US_PP/CMakeFiles/US_PP.dir/radiff.c.o
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/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Common/GetNlop.cpp: In instantiation of 'void GetNlop(Kpoint<StateType>**) [with KpointType = double]':
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Common/GetNlop.cpp:41:49: required from here
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Common/GetNlop.cpp:49:21: warning: variable 'prj_per_ion' set but not used [-Wunused-but-set-variable]
int ix, iy, iz, prj_per_ion;
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Common/GetNlop.cpp: In instantiation of 'void GetNlop(Kpoint<StateType>**) [with KpointType = std::complex<double>]':
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Common/GetNlop.cpp:42:78: required from here
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Common/GetNlop.cpp:49:21: warning: variable 'prj_per_ion' set but not used [-Wunused-but-set-variable]
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/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/US_PP/pack_gftoc.c:24:9: warning: variable 'ixstart' set but not used [-Wunused-but-set-variable]
int ixstart = -(nlxdim )/2;
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/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Common/scalapack_tools.c:511:56: warning: unused variable 'idx' [-Wunused-variable]
int i, j, ii, jj, iii, jjj, li, lj, maxrow, maxcol,idx;
^
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/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Common/Relax.cpp:146:9: warning: 'CONV_FORCE' may be used uninitialized in this function [-Wmaybe-uninitialized]
if (CONV_FORCE)
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/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Common/Relax.cpp: In function 'void Relax(int, double*, double*, double*, double*, double*, double*, double*, Kpoint<StateType>**) [with OrbitalType = std::complex<double>]':
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Common/Relax.cpp:146:9: warning: 'CONV_FORCE' may be used uninitialized in this function [-Wmaybe-uninitialized]
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/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Common/nlforce_par_gamma.c: In function 'nlforce_par_gamma':
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Common/nlforce_par_gamma.c:31:32: warning: unused variable 'three' [-Wunused-variable]
int idx, idx1, size, n, m, three = 3;
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/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Common/getpoi_bc.c: In function 'getpoi_bc':
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Common/getpoi_bc.c:44:12: warning: variable 'r' set but not used [-Wunused-but-set-variable]
double r, xc, yc, zc, x, y, z;
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/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Common/bsplines.c:239:16: warning: variable 'ilp1mx' set but not used [-Wunused-but-set-variable]
int leftx, ilp1mx;
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Common/bsplines.c: In function 'spli2d':
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Common/bsplines.c:962:55: warning: variable 'ilp1mx' set but not used [-Wunused-but-set-variable]
int i, j, jj, km1, np1, left, lenq, kpkm2, iflag, ilp1mx;
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Common/bsplines.c: In function 'spli3d':
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Common/bsplines.c:1357:59: warning: variable 'ilp1mx' set but not used [-Wunused-but-set-variable]
int i, j, jj, in, km1, np1, left, lenq, kpkm2, iflag, ilp1mx;
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Common/bsplines.c: At top level:
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Common/bsplines.c:1495:15: warning: 'dbs3vl' defined but not used [-Wunused-function]
static double dbs3vl (double x, double y, double z__, int kx,
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Common/nlforce_par_Q.c: In function 'nlforce_par_Q':
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Common/nlforce_par_Q.c:35:12: warning: unused variable 'tmp' [-Wunused-variable]
double tmp;
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Common/nlforce_par_Q.c:33:9: warning: unused variable 'idx1' [-Wunused-variable]
int idx1, idx2, n, m, count, icount, size;
^
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/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Common/print_density_z_direction.c:48:69: warning: variable 'max_grid_z' set but not used [-Wunused-but-set-variable]
int min_grid_x, min_grid_y, min_grid_z, max_grid_x, max_grid_y, max_grid_z;
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Common/print_density_z_direction.c:47:33: warning: variable 'zgrid' set but not used [-Wunused-but-set-variable]
int p0_basis, xgrid, ygrid, zgrid;
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Common/pulay_rho.c: In function 'pulay_rho':
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Common/pulay_rho.c:68:12: warning: unused variable 'work' [-Wunused-variable]
double work[MAX_STEPS*20];
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Common/pulay_rho.c:67:9: warning: unused variable 'lwork' [-Wunused-variable]
int lwork = MAX_STEPS*20;
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Common/fire.c: In function 'fire':
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Common/fire.c:136:2: warning: value computed is not used [-Wunused-value]
*n_count ++;
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special_dot_product(fi, fj, trade_space, weight, N_x, N_y, N_z);
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Building CXX object RMG/Common/CMakeFiles/RMG_Common.dir/PartialGamma.cpp.o
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/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Common/BandStructure.cpp: In instantiation of 'void BandStructure(Kpoint<StateType>**, double*, double*, double*) [with KpointType = double]':
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Common/BandStructure.cpp:50:85: required from here
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Common/BandStructure.cpp:61:14: warning: unused variable 'istop' [-Wunused-variable]
int idx, istop, st1, ist;
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Common/BandStructure.cpp:61:21: warning: unused variable 'st1' [-Wunused-variable]
int idx, istop, st1, ist;
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Common/BandStructure.cpp:61:26: warning: unused variable 'ist' [-Wunused-variable]
int idx, istop, st1, ist;
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Common/BandStructure.cpp: In instantiation of 'void BandStructure(Kpoint<StateType>**, double*, double*, double*) [with KpointType = std::complex<double>]':
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Common/BandStructure.cpp:51:100: required from here
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Common/BandStructure.cpp:61:14: warning: unused variable 'istop' [-Wunused-variable]
int idx, istop, st1, ist;
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Common/BandStructure.cpp:61:21: warning: unused variable 'st1' [-Wunused-variable]
int idx, istop, st1, ist;
^
/mnt/a/u/system/bwjenkins/openbabel-2.3.2/build/plplot.git/build/rmg-release_2.1/RMG/Common/BandStructure.cpp:61:26: warning: unused variable 'ist' [-Wunused-variable]
int idx, istop, st1, ist;
^
Linking CXX static library libRMG_Common.a
make[1]: *** [CMakeFiles/rmg-cpu.dir/rule] Error 2
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rm -rf ~/scratch/rmg-spp
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mkdir: cannot create directory `/var/lib/jenkins': Permission denied
#cp /projects/bluewaters/benchmarking/SPP/rmg/test-0100-cpu/run.pbs ~/scratch/rmg-spp/run.pbs
#cp /projects/bluewaters/benchmarking/SPP/rmg/test-0100-cpu/302waters.rmg_cpu ~/scratch/rmg-spp/
cp /projects/bluewaters/benchmarking/SPP/rmg/small/* ~/scratch/rmg-spp/
cp: target `/var/lib/jenkins/scratch/rmg-spp/' is not a directory
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cp: cannot stat `/var/lib/jenkins/rmg-spp/rmg-release_2.1/build-cpu/rmg-cpu': No such file or directory
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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
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[ 81%] Built target RMG_Common
Warning: No aprun was detected in the PBS job script. Please make sure your job script eventually invokes aprun to place applications on the compute nodes. Send email to [email protected] for assistance.
Error: nodes= or procs= not specified
Please add either -l nodes=<#nodes>:ppn=<#ppn> or -l procs=# to your submission to specify the required amount of compute resources
qsub: Your job has been administratively rejected by the queueing system.
qsub: There may be a more detailed explanation prior to this notice.
echo MYJOBID=$MYJOBID
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grep: z302water_cpu100.o*: No such file or directory
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cat: /var/lib/jenkins/rmg-spp/rmg.realtime: No such file or directory
MYJOBID=
=== RUNNING /u/staff/arnoldg/ior/wait_for.sh ===
/u/staff/arnoldg/ior/wait_for.sh: missing argument for jobid
[SSH] exit-status: 1
Build step 'Execute shell script on remote host using ssh' marked build as failure
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