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>
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
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