user-package running on muliple cores

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1

Hello, everyone
Recently I am learning a user-package called OCTP. https://github.com/omoultosEthTuDelft/OCTP
I found that if I use OCTP with loop structure like,

variable i loop 0 2
…
fix 3 all ordern diffusivity {Nevery_ordern} {th} c_0 file diffself-{i}.log diffonsager-{i}.log
run 100000
clear
next i
jump SELF
it will only generate the result for i=0 and shows the error and stops. No result for i=1,2.

= BAD TERMINATION OF ONE OF YOUR APPLICATION PROCESSES
= PID 2124 RUNNING AT q16copt057.crc.nd.edu
= EXIT CODE: 11
= CLEANING UP REMAINING PROCESSES
= YOU CAN IGNORE THE BELOW CLEANUP MESSAGES
YOUR APPLICATION TERMINATED WITH THE EXIT STRING: Segmentation fault (signal 11)

I think this problem comes from the memory usage when running with mpi.

Could anyone give me some instructions so that I can fix this error and run it on multiple cores?

Thank you very much.

Xiao Zhao

2

This is a package that is not part of the official LAMMPS distribution and has not been submitted for inclusion. As of today there are over 800 forks of the LAMMPS project on GitHub, so there is a lot of stuff out there for which no review or test by the core LAMMPS developers has been done.
Thus you have to contact the author(s) of that package for any specific help.

The way to determine the origin and resolving segmentation faults is usually by running under a debugger (or valgrind) with an executable that has debug info included.
This will tell you the location of the segmentation fault and then you can, with the proper experience and understanding of C++ and the LAMMPS code structure, come up with a possible reason for the segfault and that would then lead to a solution.

axel.