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Published 20 hours ago • verified publisher icon ICAMS

Add a debug module

Open srmnitc opened this issue 9 months ago • 0 comments

Add a debug module to see if issues are caused by underlying libraries.

  • Call lammps python directly through, see if that works on single core
  • run a mpi4py + lammps python parallel run
  • run pylammpsmpi calculation
  • run a very small calphy test calculation

srmnitc avatar May 20 '24 21:05 srmnitc