From: Adupa Vasista (adupavasista_at_gmail.com)
Date: Sun Mar 15 2020 - 23:48:52 CDT
Thanks, I'll check it out.
On Mon, Mar 16, 2020 at 1:28 AM Josh Vermaas <joshua.vermaas_at_gmail.com>
> There are some NAMD features that aren't ported to GPUs, and pair
> interaction calculations are one such feature. In addition to the GPU
> executable you have, download the multicore build without CUDA, and run the
> pair interaction calculations with that executable.
> On Sun, Mar 15, 2020, 3:10 PM Adupa Vasista <adupavasista_at_gmail.com>
>> Hi, I am using NAMD version 2.13 (Linux-x86_64-multicore-CUDA
>> <https://www.ks.uiuc.edu/Development/Download/download.cgi?UserID=&AccessCode=&ArchiveID=1566> (NVIDIA
>> CUDA acceleration). I tried to run a NAMD ENERGY calculation and got the
>> error: *Pair interaction calculation is not supported in CUDA
>> version. *
>> Is there any workaround for this? Or Is there anything more to do while
>> installation. I just declared the global path for the executable in
>> *.bashrc *
>> Thank you.
-- *A.VasistaM.Tech,Department Of Chemical Engineering,* *IIT Guwahati.*
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