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Is it possible to run NWChem on OpenCL enabled videocard or in hybrid GPU/CPU mode?

  • Bert Forum:Admin, Forum:Mod, NWChemDeveloper, bureaucrat, sysop
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No, NWChem cannot utilize an OpenCL enabled videocard. We're currently developing GPGPU based modules for coupled cluster, but they are not yet available for general use.

Bert

Quote:Zdm Feb 23rd 6:32 pm
Is it possible to run NWChem on OpenCL enabled videocard or in hybrid GPU/CPU mode?

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Dear Bert,
thank you for the answer


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