DFT Frequency Analysis failing on Infiniband Cluster

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Forum Vet

5:45:16 PM PDT - Thu, Jul 17th 2014
Aguevara You NWChem failure is likely to be memory related. I have a few related question to ask you: Did you set the environmental variable ARMCI_DEFAULT_SHMMAX? What is the memory line in your input file? Thanks, Edo