export LARGE_FILES=TRUE export USE_NOFSCHECK=TRUE export LIB_DEFINES="-DDFLT_TOT_MEM=16777216" export TCGRSH=/usr/bin/ssh export NWCHEM_TOP=/home/chem/Nwchem-6.3.revision25564-src.2014-05-03 export NWCHEM_TARGET=LINUX64 export USE_MPI=y export MPI_LOC=/usr/lib64/openmpi export MPI_LIB=$MPI_LOC/lib export MPI_INCLUDE=/usr/include/openmpi-x86_64 export LIBMPI="-lfmpich -lmpich -lpmpich -lmpi"