1:12:30 PM PDT - Wed, Jul 25th 2012 |
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I am trying to install nwchem and keep getting the following error.
echo "No extra configuration libraries were added " >> NWCHEM_CONFIG
test \! -f 64_to_32 -o \! -f 32_to_64 || rm -f 64_to_32 32_to_64
test -d /home/jlamber9/nwchem-6.1.1/lib/LINUX64 || mkdir -p /home/jlamber9/nwchem-6.1.1/lib/LINUX64
Making libraries in tools
test -d /home/jlamber9/nwchem-6.1.1/bin/LINUX64 || mkdir -p /home/jlamber9/nwchem-6.1.1/bin/LINUX64
../config/makefile.h:146: /home/jlamber9/nwchem-6.1.1/src/config/nwchem_config.h: No such file or directory
make[1]: warning: -jN forced in submake: disabling jobserver mode.
make[1]: *** No rule to make target `/home/jlamber9/nwchem-6.1.1/src/config/nwchem_config.h'. Stop.
make: *** [libraries] Error 1
I used the following script to make nwchem.
- !bin/bash
- set directory variables
export NWCHEM_TOP=/home/jlamber9/nwchem
export NWCHEM_TARGET=LINUX64
- echo "NWCHEM_TOP=$NWCHEM_TOP"
- echo "NWCHEM_TARGET=$NWCHEM_TARGET"
export NWCHEM_MODULES=all
export LARGE_FILES=TRUE
export USE_NOFSCHECK=TRUE
- export LIB_DEFINES=-DDFLT_TOT_MEM=16777216
- echo "NWCHEM_MODULES=$NWCHEM_MODULES"
- echo "LARGE_FILES=$LARGE_FILES"
- echo "LARGE_FILES=$LARGE_FILES"
- echo "LIB_DEFINES=$LIB_DEFINES"
- export PYTHONHOME=/usr/bin/
- export PYTHONVERSION=2.7
- export USE_PYTHON64=y
- export PYTHONLIBTYPE=so
- echo "PYTHONHOME=$PYTHONHOME"
- echo "PYTHONVERSION=$PYTHONVERSION"
- echo "USE_PYTHON64=$PYTHON64"
- echo "PYTHONLIBTYPE=$PYTHONLIBTYPE"
export FC=gfortran
- export CC=gcc
cd $NWCHEM_TOP/src
make nwchem_config
make FC=$FC
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