VMD-L Mailing List
From: John Stone (johns_at_ks.uiuc.edu)
Date: Wed Feb 11 2015 - 10:03:39 CST
This shouldn't have anything to do with VMD, so this is a topic best
suited for NAMD-L. If your problem is easily/reliably reproducible,
post the input files somewhere and make them available when you
report it on NAMD-L.
On Wed, Feb 11, 2015 at 10:18:11AM +0000, Tristan Croll wrote:
> Hi all,
> Apologies for cross-posting, but I'm not quite sure where this problem
> lies. When running an IMD simulation using NAMD 2.10-CUDA (GTX970M card,
> for what it's worth), I find that if I use too many CPU cores (5-6 out of
> 8 total available) the simulation will inevitably crash after a few
> hundred steps with no error message. If I reduce the number of cores to
> 2-3 it runs stably.
-- NIH Center for Macromolecular Modeling and Bioinformatics Beckman Institute for Advanced Science and Technology University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801 http://www.ks.uiuc.edu/~johns/ Phone: 217-244-3349 http://www.ks.uiuc.edu/Research/vmd/