Running Parallel NWChem on Linux Workstation

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  • Bert Forum:Admin, Forum:Mod, NWChemDeveloper, bureaucrat, sysop
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There are many cases in QA/tests. Most of them are small, but you can make it run longer by using a larger basis set.

Bert


Quote:Dhaminah Nov 13th 11:34 pm
Can someone help me please by providing an input file for a larger problem?

Much appreciated...


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