[gmx-users] [Fwd: Gromacs Segmentation Fault]

David van der Spoel spoel at xray.bmc.uu.se
Mon Aug 27 08:19:50 CEST 2007

-------- Original Message --------
Subject: 	Gromacs Segmentation Fault
Date: 	Mon, 27 Aug 2007 11:49:26 +0800
From: 	CHEN Hung-Ru <hrchen at pub.iams.sinica.edu.tw>
To: 	<support at gromacs.org>

Dear Sir:

     There is a problem. When we increase the  atom numbers to around
6,500,000, "segmentation fault" occured.
 We executed "mdrun_d -s topol.tpr -o DPPC.trr -c minimized.gro -e
em.edr ".  The size of the file "topol.tpr" is 1.6G.
 And there are sufficient 16G RAM in our machine.
 Do you have any suggestions? Thank you.

 Best regards.

 Graham CHEN

David van der Spoel, Ph.D.
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone:	+46184714205. Fax: +4618511755.
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se

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