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> 1. A description of your system<br><br>I have a system of 250 5CB molecules (it is a liquid crystal) which means 4750 atoms.<br><br>> 2. Anything else that was printed to screen or the .log file (that's where the <br>> real error message will appear)<br><br>On the screen the message was <br>[compute-0-4:01361] *** Process received signal ***<br>[compute-0-4:01361] Signal: Segmentation fault (11)<br>[compute-0-4:01361] Signal code: Address not mapped (1)<br>[compute-0-4:01361] Failing at address: 0x1913c280<br>[compute-0-4:01361] [ 0] /lib64/libpthread.so.0 [0x32b340de70]<br>[compute-0-4:01361] [ 1] mdrun [0x6a46cd]<br>[compute-0-4:01361] *** End of error message ***<br>Segmentation fault<br><br>and the last thing that was written in the md.log file is <br><br> Step Time Lambda<br> 0 0.00000 0.00000<br><br>Grid: 8 x 8 x 8 cells<br> Energies (kJ/mol)<br> Bond Angle Proper Dih. LJ (SR) Coulomb (SR)<br> 3.12078e+03 7.44768e+04 5.19128e+03 -1.67708e+04 -1.07965e+03<br> Coul. recip. Potential Kinetic En. Total Energy Temperature<br> -6.75318e+03 5.81852e+04 2.02196e+01 5.82054e+04 3.41383e-01<br> Pressure (bar)<br> -2.55714e+03<br><br>> 3. What happened in the EM procedure?<br>After the EM (steep) the forces were minimized to the desired accuracy (Tolerance (Fmax) = 1.00000e+02)<br><br>> 4. What .mdp parameters you are using<br>I use a time step of 2fs, PME for the electrostatics, a quite large cut-off (1.2), the nose-hoover thermostat (340K)<br><br>> 5. Which Gromacs version you are using<br><br>I use GROMACS 4.0.3 <br><br>Thank you <br>Antonia<br><br>> Date: Wed, 1 Apr 2009 06:39:17 -0400<br>> From: jalemkul@vt.edu<br>> To: gmx-users@gromacs.org<br>> Subject: Re: [gmx-users] (no subject)<br>> <br>> <br>> <br>> Antonia V. wrote:<br>> > Hello,<br>> > <br>> > I am trying to simulate a system at the NVT ensemble, but after a few <br>> > steps I get the error<br>> > [compute-0-4:01361] *** Process received signal ***<br>> > [compute-0-4:01361] Signal: Segmentation fault (11)<br>> > [compute-0-4:01361] Signal code: Address not mapped (1)<br>> > [compute-0-4:01361] Failing at address: 0x1913c280<br>> > [compute-0-4:01361] [ 0] /lib64/libpthread.so.0 [0x32b340de70]<br>> > [compute-0-4:01361] [ 1] mdrun [0x6a46cd]<br>> > [compute-0-4:01361] *** End of error message ***<br>> > Segmentation fault<br>> > <br>> > Any ideas what this means??<br>> > <br>> <br>> Given this information, no. Segmentation faults are difficult to pin down, <br>> anyway, but if you want help, you'll have to provide more useful information:<br>> <br>> 1. A description of your system<br>> 2. Anything else that was printed to screen or the .log file (that's where the <br>> real error message will appear)<br>> 3. What happened in the EM procedure?<br>> 4. What .mdp parameters you are using<br>> 5. Which Gromacs version you are using<br>> <br>> -Justin<br>> <br>> > Thank you<br>> > Antonia<br>> > <br>> > ------------------------------------------------------------------------<br>> > What can you do with the new Windows Live? Find out <br>> > <http://www.microsoft.com/windows/windowslive/default.aspx><br>> > <br>> > <br>> > ------------------------------------------------------------------------<br>> > <br>> > _______________________________________________<br>> > gmx-users mailing list gmx-users@gromacs.org<br>> > http://www.gromacs.org/mailman/listinfo/gmx-users<br>> > Please search the archive at http://www.gromacs.org/search before posting!<br>> > Please don't post (un)subscribe requests to the list. Use the <br>> > www interface or send it to gmx-users-request@gromacs.org.<br>> > Can't post? Read http://www.gromacs.org/mailing_lists/users.php<br>> <br>> -- <br>> ========================================<br>> <br>> Justin A. Lemkul<br>> Graduate Research Assistant<br>> ICTAS Doctoral Scholar<br>> Department of Biochemistry<br>> Virginia Tech<br>> Blacksburg, VA<br>> jalemkul[at]vt.edu | (540) 231-9080<br>> http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin<br>> <br>> ========================================<br>> _______________________________________________<br>> gmx-users mailing list gmx-users@gromacs.org<br>> http://www.gromacs.org/mailman/listinfo/gmx-users<br>> Please search the archive at http://www.gromacs.org/search before posting!<br>> Please don't post (un)subscribe requests to the list. Use the <br>> www interface or send it to gmx-users-request@gromacs.org.<br>> Can't post? Read http://www.gromacs.org/mailing_lists/users.php<br><br /><hr />check out the rest of the Windows Live™.
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