| 4:32:37 PM PDT - Fri, Jul 20th 2012 |
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progress compiling nwchem on opensuse 12.1 system
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I had not installed openmpi-devel or gcc-fortran, thnking that "openmpi" and "gcc" were sufficient. So now that was done
`
% export NWCHEM_TOP=/usr/local/nwchem
% export NWCHEM_TARGET=LINUX64
% export USE_MPI=y
% export USE_MPIF=y
% export USE_MPIF4=y
% export LIBMPI="-I/usr/lib64/mpi/gcc/openmpi/include -I/usr/lib64/mpi/gcc/openmpi/include/openmpi -pthread -L/usr/lib64/mpi/gcc/openmpi/lib64 -lmpi -lopen-rte -lopen-pal -ldl -Wl,--export-dynamic -lnsl -lutil -lm -ldl"
% export MPI_LOC=/usr/lib64/mpi/gcc/openmpi/bin
% export MPI_LIB=/usr/lib64/mpi/gcc/openmpi/lib64
% export MPI_INCLUDE=/usr/lib64/mpi/gcc/openmpi/include
% export NWCHEM_MODULES="all"
% export USE_NOFSCHECK=TRUE
% export FC=gfortran
% export CC=gcc
% which gcc
/usr/bin/gcc
%which gfortran
/usr/bin/gfortran
% cd /usr/local/nwchem-6.1.1/src
% make nwchem_config
% make >& make.log
`
The last command above now runs for about 15 min. /usr/local/nwchem-6.1.1/bin/LINUX64 contains a single file, depend.x
Many files and folders have been created in /usr/local/nwchem-6.1.1/src .
The make.log file is about 2 mb; the config.log file is about 150 kb.
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