[AMBER] Question about QM with Gaussian using GPU

From: Ramdhan,Peter A via AMBER <amber.ambermd.org>
Date: Fri, 4 Oct 2024 12:26:02 +0000

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?


_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri Oct 04 2024 - 05:30:02 PDT
Custom Search