NWCHEM 6.1.1 on MIC node


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Forum Regular
Is there any particular reason why you want to use NWChem 6.1.1? That is a rather old version of the code by now. One thing you could try is to copy the tools directory from your NWChem 6.3 version into NWChem 6.1.1. That MIGHT work (there are no guarantees here as I haven't actually tried this). If this doesn't work, please let me know.
Huub