Support for drudeNbthole on CUDA version of NAMD

From: HEMANTH H (hemanth.h_at_iitgn.ac.in)
Date: Sat Sep 05 2020 - 02:15:51 CDT

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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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