| 5:17:50 AM PDT - Sat, Nov 1st 2014 |
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I'm always getting error in make.log file-------
"configure: error: could not compile simple C MPI program"
I have followed the instructions exactly what is given in nwchem 6.3 mannual
export NWCHEM_TOP=<mypath>/nwchem
export NWCHEM_TARGET=LINUX64
export NWCHEM_MODULES=all
export USE_MPI=y
export USE_MPIF=y
export USE_MPIF4=y
export USE_SCALAPACK=y
export USE_64TO32=y
export LIBMPI=" "
module load onesided
setenv ARMCI_NETWORK=GEMINI
setenv ONESIDED_USE_UDREG=1
cd $NWCHEM_TOP/src
make nwchem_config
make 64_to_32
make FC=ftn >& make.log
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