From: Tristan Croll (tristan.croll_at_qut.edu.au)
Date: Wed Feb 11 2015 - 15:09:11 CST
Thanks for the workaround.
From: Jim Phillips <jim_at_ks.uiuc.edu>
Sent: Thursday, 12 February 2015 2:51 AM
To: namd-l_at_ks.uiuc.edu; Tristan Croll
Subject: Re: namd-l: GBIS in NAMD 2.10 CUDA with IMD
Thanks for reporting this. I can reproduce the segfault but don't have an
explanation other than some interference between CUDA and the IMD sockets
connection. The following config file options seem to make it go away:
On Wed, 11 Feb 2015, 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.
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