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Re: [lammps-users] problem with running lammps in parallel
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Re: [lammps-users] problem with running lammps in parallel


From: Axel Kohlmeyer <akohlmey@...24...>
Date: Tue, 1 Aug 2017 09:49:35 -0400



On Tue, Aug 1, 2017 at 9:42 AM, Ana Cristina Ramírez <cristinaramz@...8...> wrote:


Hello everyone. I have this problem when running lammps for the density calculation. Any suggestion?


​please do not "hijack" ​an unrelated discussion thread to post a new question. 
instead compose a new e-mail and give it a new, suitable subject. it is in your own interest, as this increases your chances to get a meaningful response significantly.

there are more recommendations about posting to this mailing list at: http://lammps.sandia.gov/guidelines.html
the more closely you follow those guidelines, the more likely you will get help.

finally, on the topic of your inquiry: ​e-mails about this error are posted and answered(!) on this mailing list regularly. thus please search the mailing list archive and study old answers and only post the same topic again if you have something to add, that is different from what people posted previously.

thanks for understanding,
      axel.​



ERROR on proc 6: Out of range atoms - cannot compute PPPM (../pppm.cpp:1927)
--------------------------------------------------------------------------
MPI_ABORT was invoked on rank 6 in communicator MPI_COMM_WORLD
with errorcode 1.

NOTE: invoking MPI_ABORT causes Open MPI to kill all MPI processes.
You may or may not see output from other processes, depending on
exactly when Open MPI kills them.


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--
Dr. Axel Kohlmeyer  akohlmey@...24...  http://goo.gl/1wk0
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.