Hi,
I'm trying to install NWChem on our cluster but I faced an error. I did the following configurations:
export NWCHEM_TOP=....../src/Nwchem-6.5.revision26243-src.2014-09-10
export NWCHEM_TARGET=LINUX64
export ARMCI_NETWORK=DMAPP
export USE_MPI=y
export NWCHEM_MODULES=all
module swap PrgEnv-cray PrgEnv-gnu
module load craype-hugepages64M
cd $NWCHEM_TOP/src
make nwchem_config
make 64_to_32
cd $NWCHEM_TOP/src/tools
wget https://github.com/ryanolson/ga/archive/cray.zip -O cray.zip
unzip cray.zip
export GA_DIR=ga-cray
make FC=ftn
But "make FC=ftn" returns the following error:
.....
checking for base cc compiler... gcc
checking whether a simple C MPI program compiles... yes
configure: searching for DMAPP...
checking dmapp.h usability... no
checking dmapp.h presence... no
checking for dmapp.h... no
configure: error: test for COMEX_NETWORK=DMAPP failed
configure: error: ../../ga-5-3/comex/configure failed for comex
make[1]: *** [build/config.status] Error 1
make: *** [libraries] Error 1
Any suggestion to how to resolve it?
Thanks,
-Sarah
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