Okay, that helped quite a bit, Huub. For anyone's future reference with the prior-mentioned system configuration, the following script does the job pretty well, although occasionally a SIGSEGV error arises in some tasks.
#Installation of NWChem 6.3 on Mac OS X with OpenMPI already installed
#export LARGE_FILES=FALSE
export OLD_GA=yes
export USE_NOFSCHECK=TRUE
export LIB_DEFINES="-DDFLT_TOT_MEM=16777216"
export NWCHEM_TOP=~/Code/nwchem/nwchem-6.3-src.2013-05-28/
export NWCHEM_TARGET=MACX
export NWCHEM_NWPW_LIBRARY=~/Code/nwchem/nwchem-6.3-src.2013-05-28/src/nwpw/libraryps/
export USE_MPI=y
export USE_MPIF=yes
export USE_MPI4=yes
export LIBMPI="-lfmpich -lmpich -lpmpich"
export MPI_LOC=/opt/local/
export MPI_LIB=$MPI_LOC/lib
export MPI_INCLUDE=$MPI_LOC/include
export USE_64TO32=yes
cd $NWCHEM_TOP/src/
make realclean
make nwchem_config NWCHEM_MODULES=all
make 64_to_32
make
The error being
Backtrace for this error:
#0 0x11463f182
#1 0x11463f94e
#2 0x7fff93d33cf9
#3 0x1064acb07
#4 0x10649b0b9
#5 0x1062dfdb2
#6 0x106393b69
#7 0x10577abec
#8 0x10576878d
#9 0x105768d25
Segmentation fault: 11
|