Re: Support for drudeNbthole on CUDA version of NAMD

From: David Hardy (
Date: Tue Sep 15 2020 - 12:06:22 CDT

Dear Hemanth,

Sorry, we do not yet have the NB-Thole terms ported to CUDA. It is on our "to do" list.

Best regards,

David J. Hardy, Ph.D.
Beckman Institute
University of Illinois at Urbana-Champaign
405 N. Mathews Ave., Urbana, IL 61801,
> On Sep 5, 2020, at 2:15 AM, HEMANTH H <> wrote:
> Dear Community members,
> I found that drudeNbthole is not supported on the CUDA version of NAMD, but I am in a position that requires the use of drudeNbthole for my simulations. I do not want to lose out on the performance gain provided by the gpu versions of NAMD over the cpu versions, but the present scenario calls for a migration to the cpu code. Is there a version of NAMD with CUDA support that has drudeNbthole enabled?
> Thanks in advance
> Hemanth
> -- 
> Hemanth H 18310019
> Research Scholar
> IIT Gandhinagar

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