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WP-hpc-tools/wahab/builds/nwchem/BUILD-NOTES.md
Wirawan Purwanto 67c05e7efd * Added small build notes for nwchem on Wahab.
2021-04-15 12:40:55 -04:00

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NWCHEM BUILD NOTES

Date: 2021-04-14 Wirawan Purwanto

Tools & libraries used:

  • gcc 7.3 (natively provided by Ubuntu 18.04)
  • OpenMPI 3.1.4 (module: openmpi/3.1.4)

Build scripts derived from similar scripts from ODU's container repo.

ARMCI backend tried:

  • ARMCI (armci-mpi): Still failed.
  • OPENIB: Succeeded.