VMD-L Mailing List

From: Adupa Vasista (adupavasista_at_gmail.com)
Date: Sun Mar 15 2020 - 12:10:53 CDT

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.