From: David Hardy (dhardy_at_ks.uiuc.edu)
Date: Tue Sep 15 2020 - 12:06:22 CDT
Sorry, we do not yet have the NB-Thole terms ported to CUDA. It is on our "to do" list.
-- 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 > -- > Hemanth H 18310019 > Research Scholar > IIT Gandhinagar
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