Compiling 6.8.1 on CentOS Cluster with OpenMPI


Click here for full thread
Just Got Here
I'm looking to compile 6.8.1 on a CentOS 6.10 cluster using OpenMPI. I'm using the following script which is recommended for our set-up:


#!/bin/bash

export NWCHEM_TOP=/software/nwchem-6.8
export NWCHEM_TARGET=LINUX64
export ARMCI_NETWORK=MPI-PR
export CC=gcc
export FC=gfortran
export USE_ARUR=TRUE
export USE_NOFSCHECK=TRUE
export NWCHEM_FSCHECK=N
export LARGE_FILES=TRUE
export MRCC_THEORY=Y
export EACCSD=Y
export IPCCSD=Y
export CCSDTQ=Y
export CCSDTLR=Y
export NWCHEM_LONG_PATHS=Y
export PYTHONHOME=/usr
export PYTHONVERSION=2.7
export PYTHONLIBTYPE=so
export USE_PYTHON64=y
export HAS_BLAS=yes
export BLASOPT="-L/usr/lib64 -lopenblas"
export BLAS_SIZE=4
export MAKE=/usr/bin/make
export LD_LIBRARY_PATH=/usr/lib64/openmpi/lib
export USE_MPI=y
export USE_MPIF=y
export USE_MPIF4=y
export MPIEXEC=/usr/lib64/openmpi/bin/mpiexec
export MPI_LIB=/usr/lib64/openmpi/lib
export MPI_INCLUDE=/usr/include/openmpi-x86_64
export LIBMPI="-lmpi -lmpi_f90 -lmpi_f77"

$MAKE nwchem_config NWCHEM_MODULES="all python" 2>&1 | tee ../make_nwchem_config_openmpi.log
$MAKE 64_to_32 2>&1 | tee ../make_64_to_32_openmpi.log
export MAKEOPTS="USE_64TO32=y"
$MAKE ${MAKEOPTS} 2>&1



Running the script gives only the following errors:

make: *** No rule to make target `nwchem_config'.  Stop.
make: *** No rule to make target `64_to_32'. Stop.
make: *** No targets specified and no makefile found. Stop.

I've done some trouble shooting with similar errors in the thread with no luck and I'm at a bit of a loss. Any help would be greatly appreciated!