Hello,
I am looking to use GPUs for QM calculations on gaussian but I am unsure of how to add it through the gaussian interface of the sander input in amber. It seems there is only a place for CPUs. I am unsure if GPUs could be requested for the QM calculation while CPUs work for the sander portion. Any ideas?
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Received on Fri Oct 04 2024 - 05:30:02 PDT
