| 10:04:56 AM PDT - Tue, Jun 18th 2013 |
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I see something interesting in your environment variables. You are specifying that the code be build using MPI but you request for the ARMCI_NETWORK that SOCKETS be used. That combination makes no sense. What your ARMCI_NETWORK should be set to depends on your platform and in particular the interconnect. If you have no special interconnect you will to set ARMCI_NETWORK to one of the MPI variants. This can be either MPI_TS or MPI-MT. The first option uses MPI twosided communication this should always work but introduces additional synchronization. The second option uses multi-threading by which the Global Arrays create a special thread in every process to handle remote communication requests. This is faster but requires multi-threading support in your MPI library.
You can either try this out by hand or use the build_nwchem script (please unset all you NWCHEM environment variables before trying that) see http://nwchemgit.github.io/index.php/Compiling_NWChem#How-to:_Build_nwchem_script for details. The script will automatically check for any high performance interconnects on your machine as well as the capabilities of your MPI library.
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