Solved: Nwchem 6.3 running 2-5 times slower than 6.1.1

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Forum Vet

9:23:07 AM PDT - Mon, May 20th 2013
ARMCI_NETWORK=SOCKETS should be faster
The default ARMCI_NETWORK is now MPI-TS. In the case of runs that use a single node, ARMCI_NETWORK=SOCKETS might give faster run times. Here is how to switch export ARMCI_NETWORK=SOCKETS cd $NWCHEM_TOP/src/tools rm -rf build install make cd .. make link