NAMD3 Multiple Instances

From: Raman Preet Singh (
Date: Wed Feb 03 2021 - 11:50:04 CST

Hi All,

I have a quick question on NAMD3.

I have 3 GPUs in my workstation. Is it advisable to run 3 jobs simultaneously on different GPUs using NAMD3? Or should one job be run at a time?

Should the +devices argument be used to define which job runs on which GPU?

Any specific things to look at (if multiple jobs are run simultaneously) except those mentioned on the NAMD3 download page (CUDASOAintegrate and margin)?

Thanks in advance.


This archive was generated by hypermail 2.1.6 : Fri Dec 31 2021 - 23:17:10 CST