[gmx-users] Gromacs GPU got hang

Téletchéa Stéphane stephane.teletchea at univ-nantes.fr
Wed Sep 30 11:52:01 CEST 2015

Le 29/09/2015 23:40, M Teguh Satria a écrit :
> Any of you experiencing similar problem ? Is there any way to
> troubleshoot/debug to see the cause ? Because I didn't get any warning or
> error message.


This can be a driver issue (or hardware, think of temperature, dust, ...),
and happens to me from time to time.

The only solution I found was to reset the GPU (see nvidia-smi options),
if this is not sufficient you will have to reboot (and use the cold boot:
turn off the computer for more than 30s, and then boot again).

If this happens too often, you may have a defective card, see your 
vendor in that


Stéphane Téletchéa

Assistant Professor, UFIP, UMR 6286 CNRS, Team Protein Design In Silico
UFR Sciences et Techniques, 2, rue de la Houssinière, Bât. 25, 44322 Nantes cedex 03, France
Tél : +33 251 125 636 / Fax : +33 251 125 632
http://www.ufip.univ-nantes.fr/ - http://www.steletch.org

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