LAMMPS WWW Site - LAMMPS Documentation - LAMMPS Mailing List Archives
Re: [lammps-users] Shell command
[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

Re: [lammps-users] Shell command


From: Axel Kohlmeyer <akohlmey@...24...>
Date: Fri, 1 Sep 2017 09:37:29 -0400



On Fri, Sep 1, 2017 at 7:02 AM, Neda Rafiee via lammps-users <lammps-users@lists.sourceforge.net> wrote:
Dear Users,
I want to run my program on a cluster on 16 processors and I have used the "Shell" command in my program. I am also using "fix colvars". I got the following error:

ERROR on proc 0: Restrain atoms 36 25 28 30 missing on proc 0 at step 0 (../fix_restrain.cpp:459)
ERROR on proc 4: Restrain atoms 36 25 28 30 missing on proc 4 at step 0 (../fix_restrain.cpp:459)
ERROR on proc 12: Restrain atoms 36 25 28 30 missing on proc 12 at step 0 (../fix_restrain.cpp:459)
ERROR on proc 8: Restrain atoms 36 25 28 30 missing on proc 8 at step 0 (../fix_restrain.cpp:459)
application called MPI_Abort(MPI_COMM_WORLD, 1) - process 12
ERROR on proc 5: Restrain atoms 8356 8345 8348 8350 missing on proc 5 at step 0 (../fix_restrain.cpp:459)

Anyone knows what can I do?

​this error has *very obviously* nothing to do with either the shell command or fix colvars.


axel.



 
Thanks,
Neda

------------------------------------------------------------------------------
Check out the vibrant tech community on one of the world's most
engaging tech sites, Slashdot.org! http://sdm.link/slashdot
_______________________________________________
lammps-users mailing list
lammps-users@...6297....sourceforge.net
https://lists.sourceforge.net/lists/listinfo/lammps-users




--
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.