On Mon, Sep 12, 2011 at 8:33 PM, Justin A. Lemkul <jalem...@vt.edu> wrote:
> > > lina wrote: > >> Hi, >> >> I am confused, why the job is running, >> >> but they did not write the .edr, .log .xtc ... files. >> >> Everything showed so normal, just not writing, >> >> when I used thread, all is fine, the writing is normal. >> >> just use mpi, I tried different nodes, still not work, now two hours >> later, still no writing, just running. >> >> Thanks for providing any clue for me to examine. >> >> >> > Sounds like your MPI implementation is broken or you haven't issued the > command right. If you have a test command that you know should work, run > that. Otherwise, it's impossible to know if the problem is with Gromacs or > something external. If you compiled with threading support, but not MPI (in > a separate binary) then MPI will not work on the thread-enabled executable. > I suspected it's MPI issue, but couple of days ago it's fine, and the results was able to write. I installed both MPI and thread but with different prefix to distinguish. Thanks, > > -Justin > > -- > ==============================**========== > > 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<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<http://lists.gromacs.org/mailman/listinfo/gmx-users> > Please search the archive at http://www.gromacs.org/** > Support/Mailing_Lists/Search<http://www.gromacs.org/Support/Mailing_Lists/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/**Support/Mailing_Lists<http://www.gromacs.org/Support/Mailing_Lists> > -- Best Regards, lina
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