[gmx-users] ngmx: Segmentation fault
spoel at xray.bmc.uu.se
Fri Aug 29 08:35:01 CEST 2003
On Thu, 2003-08-28 at 23:07, Albert Sun wrote:
> Dear David van der Spoel,
> I am testing a simple case, and prepared top and gro files as
> attached, when I ran EM.mdp and 9atom.mdp, and see ngmx, it has the
> error: segmentation fault.
> (em.mdp file is attached in another email)
> Could you help me to have a look?
I see a system of 9 atoms in a plane which explodes after roughly 100 fs
(I decreased nstxout to 5 to see it).
If you do not see that, then I suggest you try to run it on a Linux or
Unix box first. By the way, ngmx won't work on a DOS anyway.
Dr. David van der Spoel, Dept. of Cell and Molecular Biology
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
spoel at xray.bmc.uu.se spoel at gromacs.org http://xray.bmc.uu.se/~spoel
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