| 12:29:01 PM PDT - Fri, May 10th 2013 |
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Hi Edo,
Thank you for your reply.
I am running Ubuntu 12.04.2 LTS. I've removed previous version of NWChem and I've installed NWChem 6.1.1 from the source.I had no problem installing it (no errors appeared etc.) but now, silly problem occurred!
Below you can find environment variables and code compilation procedure that I've set-up/performed
Thanks.
export NWCHEM_TOP=/home/ant/programs/nwchem/nwchem-6.1.1-src
export NWCHEM_TARGET=LINUX64
export NWCHEM_MODULES=all
export USE_MPI=y
export USE_MPIF=y
export USE_MPIF4=y
export MPI_LOC=/usr
export MPI_LIB=$MPI_LOC/lib
export MPI_INCLUDE=$MPI_LOC/include
export LIBMPI="-lmpi_f90 -lmpi_f77 -lmpi -ldl -Wl,--export-dynamic -lnsl -lutil"
export LARGE_FILES=TRUE
export USE_NOFSCHECK=TRUE
export LIB_DEFINES=-DDFLT_TOT_MEM=16777216
export FC=gfortran
export CC=gcc
cd $NWCHEM_TOP/src
make nwchem_config
make FC=gfortran >& make.log
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