[gmx-users] mpispawn.c:303 Unexpected exit status
kumarbale at gmail.com
Fri Dec 11 02:28:09 CET 2009
Thanks for replying.
No .log file is produced. Can you elaborate what do you mean by ' this
really sounds more like a job for your sysadmin '. What should I exactly do
to rectify this error? I am new to super computers and gromacs.
On Thu, Dec 10, 2009 at 6:59 PM, Justin A. Lemkul <jalemkul at vt.edu> wrote:
> shivkumar bale wrote:
>> 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.
> Have a look at the .log file produced by mdrun, if there is one.
> Otherwise, this really sounds more like a job for your sysadmin, since
> there is no Gromacs-related output that you have shown thus far to indicate
> that this is a Gromacs problem.
> Thanks for your help.
>> On Tue, Dec 8, 2009 at 5:53 AM, Justin A. Lemkul <jalemkul at vt.edu<mailto:
>> jalemkul at vt.edu>> wrote:
>> You haven't addressed any of the comments or questions I posted
>> 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.
>> 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:
>> 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.
>> -- ========================================
>> Justin A. Lemkul
>> Ph.D. Candidate
>> ICTAS Doctoral Scholar
>> MILES-IGERT Trainee
>> Department of Biochemistry
>> Virginia Tech
>> Blacksburg, VA
>> jalemkul[at]vt.edu <http://vt.edu/> | (540) 231-9080
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> 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
> gmx-users mailing list gmx-users at gromacs.org
> 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-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/mailing_lists/users.php
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