an error when running NWChem6.3
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Forum Vet
11:01:20 AM PST - Thu, Nov 6th 2014
Liuwei
NWChem 6.5 has been out for a while. You might want to use it instead of 6.3
http://nwchemgit.github.io/index.php/Download#Source_Code
http://nwchemgit.github.io/index.php/Compiling_NWChem
By the way ARMCI_NETWORK=MPI2 is not an option that the NWCHem makefile structure will recognize.
Please let ARMCI_NETWORK undefined or set ARMCI_NETWORK=MPI-TS (default value)