[gmx-users] Segmentation Fault

David spoel at xray.bmc.uu.se
Wed Sep 24 20:55:01 CEST 2003

On Wed, 2003-09-24 at 20:47, Dr. Ramón Garduño-Juárez wrote:
> Dear GROMACS users:
> It has been a while since I posted this problem to the group, and this
> far I have not received any help. Thus, I dare to post it again in
> hope that this time I will receive some hints as to what to do in
> order to avoid this problem....
> ----- Original Message ----- 
> From: Dr. Ramón Garduño-Juárez
> To: gmx-users at gromacs.org
> Sent: Wednesday, August 13, 2003 9:00 PM
> Subject: demo´s segmentation fault
> Dear GROMACS users:
> I have installed GROMACS v3.1.4 in a Linux cluster with a
> 2.4.18papikernel where the FFTW -2.1.3.-1 is present.
> I have access to the GROMACS program from a remote machine.  The
> DISPLAY variable points to the cluster machine not to the machine
> where I am. When I run the demo command I get a "Segmentation fault"
> message as soon as the demo tries to start the pdb2gmx
> program. However a window is poped out with the GROMACS legend but the
> calculation stops.
> Any ideas as to what I am doing wrong?...............Much obliged.

You can start by moving the display
setenv DISPLAY mydesktop:0
and on your desktop:
xhost +

If the problem persists it is time to move on to the next stage of the
tutorial where you can run all the programs step by step. In case you
have still problems then, please provide more information of what is
going wrong.

> Dr. Ramón Garduño-Juárez
> Centro de Ciencias Físicas, UNAM
> México
> Phone (777)3291749, (55)56227749
> FAX (777)3291775, (55)56227775
David van der Spoel, PhD, Assist. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
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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