[gmx-users] GPU running problem with GMX-4.6 beta2
jalemkul at vt.edu
Mon Dec 17 20:06:36 CET 2012
On 12/17/12 2:03 PM, Albert wrote:
> well, that's one of the log files.
> I've tried both
> VERSION 4.6-dev-20121004-5d6c49d
> VERSION 4.6-beta1
> VERSION 4.6-beta2
> and the latest 5.0 by git.
> the problems are the same.....:-(
It seems to me that the system is simply crashing like any other that becomes
unstable. Does the simulation run at all on plain CPU?
> On 12/17/2012 07:56 PM, Mark Abraham wrote:
>> On Mon, Dec 17, 2012 at 6:01 PM, Albert<mailmd2011 at gmail.com> wrote:
>>> > I reduced the GPU to two, and it said:
>>> >Back Off! I just backed up nvt.log to ./#nvt.log.1#
>>> >Reading file nvt.tpr, VERSION 4.6-dev-20121004-5d6c49d (single precision)
>> This is a development version from October 1. Please use the mdrun version
>> you think you're using:-)
Justin A. Lemkul, Ph.D.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
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