Question on running NWCHem


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  • Guest -
1:13:46 AM PST - Thu, Nov 24th 2011
So, no comments what can I do with that problem?
The input file above works fine for up to 8 nodes. On 16 nodes it crashes.
Maybe this line is close to the problem?

export LIB_DEFINES="-DDFLT_TOT_MEM=1048576"

Ivan