Dear LAMMPS users,
I am running a LAMMPS script and I am getting the following message at the timestep no 17,000.
test_lammps.o60666 (16.7 KB)
Dear LAMMPS users,
I am running a LAMMPS script and I am getting the following message at the
timestep no 17,000.============================================================
= BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES
= PID 14343 RUNNING AT dcn035
= EXIT CODE: 6
= CLEANING UP REMAINING PROCESSES
= YOU CAN IGNORE THE BELOW CLEANUP MESSAGES=======================
Intel(R) MPI Library troubleshooting guide:
https://software.intel.com/node/561764=======================
This error must be associated with the following 2 commands (when I do
not compute the rdf and stop averaging, the problem stops occurring):compute rdf1 all_atoms1 rdf 10 1 2 cutoff 4.5
fix avetime2 all_atoms1 ave/time 1000 1 1000 c_rdf1[*] file rdf.profile
mode vectorAs this is about a grinding simulation, the error occurs specifically at
the time when the abrasive approaches very closely to the workpiece (the
number of 1-2 pairs is increasing sharply).
unfortunately, none of the information from the job itself copied here or
in the attachment provides any "smoking gun", that allows a clear
identification of a possible error.
if your suspicion of the increase in the number of neighbors is correct,
you can try increasing the maximum expected number of neighbors per atom
using "neigh_modify one" (and for efficient memory use, also adapt the
neigh_modify page options accordingly). however, this would only apply if
your cutoff of 4.5 is much larger than the regular cutoff used. you may
also try to reduce this cutoff, instead.
another test would be to run with a newer LAMMPS version in order to
verify, that you are not running into a bug, that has already been fixed.
the final option would be to try and build and post a small test input,
that reproduces the issue and can be run quickly in serial by LAMMPS
developers, so they can apply their debugging tools to this issue (if
indeed it is an issue in the LAMMPS code).
axel.