Compiling 6.8.1 on CentOS Cluster with OpenMPI

#!/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

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.