| 11:56:25 PM PDT - Tue, Jun 23rd 2015 |
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| You should use "basis spherical" with the Dunning basis sets. It will save a bit of space and your SCF will finish faster. How many nodes are you trying to run across? I don't have enough RAM to run it to completion but I get to "createfile: failed ga_create size/nproc bytes 27656265208". It needs to allocate ~27 GB but only has ~6 GB available in GA memory. It seems like you need to run this across at least 5 nodes, possibly more, to fit everything in memory with the memory settings you have supplied. I don't know why you are seeing asterisks instead of numbers with your ga_create failure, but you might consider upgrading to a newer NWChem. 6.1 was released in 2011.
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