From: Thomas Evangelidis (tevang3_at_gmail.com)
Date: Tue Dec 25 2012 - 04:33:56 CST
According to your command line you utilize only the second GPU. Try using:
namd2 +idlepoll +p6 +devices 0,1,2,3 md_run.conf &> md_run.log
Thomas
On 25 December 2012 10:35, 鐜嬪啗 <junwang_at_hust.edu.cn> wrote:
> Hello,
>
> NAMD users, I'm a beginner of NAMD. I run my simulation on a Linux
> Workstation which has 4 GTX680 GPU card, but whatever I do, the GPU utility
> of my process which is never greater than 45%. Compared with amber12
> pmemd.cuda, which can always stay at 99%, NAMD is too low. I think this is
> the reason why amber12 is obviously faster than NAMD by GPU. This problem
> makes me puzzled. Is there anyone who knows what's wrong with it? My NAMD
> version is 2.9b for CUDA, the CUDA driver version is 310.19, my OS is
> CentOS6.3, and my command for running NAMD is: namd2 +idlepoll +p6 +devices
> 1 md_run.conf &> md_run.log. Any help will be appreciated, thanks in
> advance.
>
> Jun
>
--
======================================================================
Thomas Evangelidis
PhD student
University of Athens
Faculty of Pharmacy
Department of Pharmaceutical Chemistry
Panepistimioupoli-Zografou
157 71 Athens
GREECE
email: tevang_at_pharm.uoa.gr
tevang3_at_gmail.com
website: https://sites.google.com/site/thomasevangelidishomepage/
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