Re: GBIS in NAMD 2.10 CUDA with IMD

From: Tristan Croll (
Date: Wed Feb 11 2015 - 15:09:11 CST

Hi Jim,

Thanks for the workaround.



From: Jim Phillips <>
Sent: Thursday, 12 February 2015 2:51 AM
To:; 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:

   noPatchesOnZero yes
   noPatchesOnOne yes


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.
> Cheers,
> Tristan

This archive was generated by hypermail 2.1.6 : Tue Dec 27 2016 - 23:20:54 CST