QCEngine icon indicating copy to clipboard operation
QCEngine copied to clipboard

Published 20 hours ago • verified publisher icon MolSSI

Document MPI

Open mattwelborn opened this issue 5 years ago • 4 comments

Is your feature request related to a problem? Please describe. MPI is supported but not documented.

Describe the solution you'd like There should be documentation for:

  • running MPI with compute
  • running MPI with compute_procedure
  • developing MPI-aware program harnesses

Additional context This issue arose during discussions with https://github.com/MRChemSoft/mrchem

mattwelborn avatar Jan 23 '20 11:01 mattwelborn

@WardLT is this ready to be documented and supported?

dgasmith avatar Jan 23 '20 14:01 dgasmith

Yes, and I can make documentation for how the MPI-ready Program harnesses function.

Where in the docs should it go? Programs or Developer Documentation?

WardLT avatar Jan 23 '20 14:01 WardLT

I think a new page under "User Interface" since this is general to all program with a note in the environment detection page that MPI isn't automatically found.

dgasmith avatar Jan 23 '20 14:01 dgasmith

Thanks. I can do that

WardLT avatar Jan 23 '20 14:01 WardLT