VMD-L Mailing List

From: David Hardy (dhardy_at_ks.uiuc.edu)
Date: Wed Aug 30 2017 - 10:21:40 CDT

Dear Jrhau,

Please attach your NAMD config file and also the log file produced.

Since your issue is regarding NAMD rather than VMD, I'm moving the conversation to namd-l.

Best regards,
Dave 

--
David J. Hardy, Ph.D.
Theoretical and Computational Biophysics
Beckman Institute, University of Illinois
dhardy_at_ks.uiuc.edu
http://www.ks.uiuc.edu/~dhardy/
> On Aug 30, 2017, at 6:14 AM, jrhau lung <jrhaulung_at_gmail.com> wrote:
> 
> Dear VMD frineds:
>     In order to build a second computer force for my future MD work, recently I bought a used GTX780Ti still in warranty.  To test its  performance, it was tested on my current computer which installed with  ubuntu 16.04 LTS, Nvidia 375.26 driver with cuda 8.0.61.  Although the 780Ti cuda can be detected by using Nvidia deviceQuery and bandwidthTest, the GPU was not used by  NAMD2-multicore-cuda in the MD simulation setup by QwikMD as checked by Nvidia-smi. But the GPU was used in the MD simulation under the same setting for my another graphic card-GTX970. Is there any possible reason for this.  Thanks.
> 
> sincerely,
> 
> Jrhau