From: Dr. Eddie (eackad_at_gmail.com)
Date: Mon Oct 04 2021 - 14:33:59 CDT
Has this been added in any subsequent versions (2.15 or the nightly-build)?
On Tue, Sep 15, 2020 at 12:07 PM David Hardy <dhardy_at_ks.uiuc.edu> wrote:
> 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
> dhardy_at_ks.uiuc.edu, http://www.ks.uiuc.edu/~dhardy/
> On Sep 5, 2020, at 2:15 AM, HEMANTH H <hemanth.h_at_iitgn.ac.in> 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 H 18310019*
> Research Scholar
> IIT Gandhinagar
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