| 2:22:04 PM PDT - Thu, Aug 18th 2016 |
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Max
Could you please try the following to get MPI-PR going on your cluster
1) Please remove any left-over file from previous NWChem MPI-PR runs on "all" the nodes of your cluster by executing the command
rm -f /dev/shm/*cmx*
2) Recompile the tools in NWChem with ARMCI_NETWORK=MPI-PR after applying the following patch
http://nwchemgit.github.io/download.php?f=Ga_5.mpipr_shmop.patch.gz
You can apply it by following these steps
i) cd $NWCHEM_TOP/src/tools/ga-5-4
ii) wget http://nwchemgit.github.io/download.php?f=Ga_5.mpipr_shmop.patch.gz -O Ga_5.mpipr_shmop.patch.gz
iii) gzip -d Ga_5.mpipr_shmop.patch.gz
iv) patch -p0 < Ga_5.mpipr_shmop.patch
v) cd ..
vi) rm -rf build install
vii) make FC=ifort ARMCI_NETWORK=MPI-PR
viii) cd ..
ix) make FC=ifort link
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