It seems to be a problem related to the debian package. I have compiled gromacs 3.3.3 from source with gcc-4.3 and apparently the problem has dissapeared. Perhaps, the binaries on the debian package were compiled with gcc-4.1.
Cesar Avila escribió: > Dear all, > I am new to the gromacs simulation package. Thus far I have been using > Charmm and NAMD, but now I am interested on testing Marrink's > Coarse-Grained Martini FF. I managed to setup an initial configuration for > a protein in a water box. After a few minimization steps, I ran the > simulation for about 10 ns until it crashed with a Segmentation fault > message. > Using tpbconv, I resumed the simulation from 10200 ps step. Nevertheless I > systematically found a segmentation fault error on step 6530. Using mdrun > -nocompact gives no additional information about the crash. When I use > mdrun -debug the simulation is able to run without any problem (until I > run out of disk space). > I found the same error to occur on both a Pentium IV (debian etch) and an > Intel Core 2 Duo (Debian lenny). Both systems > are running gromacs 3.3.3 from Debian testing packages. If anyone is > interested on reproducing the error on their own computer, I can send them > the tpr file (476K compressed). > Best regards > Cesar Avila > Universidad Nacional de Tucuman. > > > _______________________________________________ > gmx-users mailing list gmx-users@gromacs.org > http://www.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to [EMAIL PROTECTED] > Can't post? Read http://www.gromacs.org/mailing_lists/users.php > _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
