Hi Justin, Sorry about the email. I just made a mistake while posting.
First of all, Thanks for replying. I tried the suggestions you gave like I changed the pbc from full to xyz, removed -Dflex term and also changed the fourier grid spacing but still I am getting the same error. I am attaching the error message with this email. Have a look at it. If you need any more information let me know. Thanks for your help. Regards Shivkumar On Tue, Dec 8, 2009 at 5:53 AM, Justin A. Lemkul <jalem...@vt.edu> wrote: > > You haven't addressed any of the comments or questions I posted earlier: > > http://lists.gromacs.org/pipermail/gmx-users/2009-December/047294.html > > When asking for free help, demonstrate that you're willing to take the > advice you're given, and if that fails, state what problems remain. > Otherwise, it seems like you're ignoring viable suggestions. > > For the sake of being explicit: your .mdp file is wrong, and the dynamics > are likely spurious. Solve these issues (which I have described for you!) > before moving to a more peripherally-related solution. Also check the .log > file; as I said before, Gromacs rarely exits without offering its own error > messages about what's going wrong. There is nothing in this output that > immediately suggests your PME spacing is remotely at fault, but other > parameters in your .mdp file are clearly wrong. > > -Justin > > shivkumar bale wrote: > >> Hi Gromacs Users, >> >> The error: >> >> mpispawn.c:303 Unexpected exit status >> >> Child exited abnormally! >> Killing remote processes...DONE >> >> Following is the link which might help: >> >> http://www.ece.unm.edu/~etanner/MPI.html < >> http://www.ece.unm.edu/%7Eetanner/MPI.html<http://www.ece.unm.edu/~etanner/MPI.html>> >> >> >> >> >> I think the above error is because of the PME calculations and changing >> the grid spacing might work. But I dont know how to change the grid spacing. >> Do you have any idea regarding that? Or if you think the error is due to >> some other reason let me know. >> >> I am attaching the .mdp file with this email. >> >> Thanks for the help. >> >> Regards >> >> Shivkumar >> >> > -- > ======================================== > > Justin A. Lemkul > Ph.D. Candidate > ICTAS Doctoral Scholar > MILES-IGERT Trainee > Department of Biochemistry > Virginia Tech > Blacksburg, VA > jalemkul[at]vt.edu | (540) 231-9080 > http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin > > ======================================== > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.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 gmx-users-requ...@gromacs.org. > Can't post? Read http://www.gromacs.org/mailing_lists/users.php >
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