Commit Graph

9 Commits

Author SHA1 Message Date
Wirawan Purwanto
cc95430e06 * Added lmod module for OPENIB-based nwchem installation on Wahab. 2021-04-20 00:29:57 -04:00
Wirawan Purwanto
f9d350aa7c * Added make-based install procedure for nwchem 7.0.0. 2021-04-20 00:29:27 -04:00
Wirawan Purwanto
9e7c5b3312 * Modularize & tidied up the nwbuild05 script. 2021-04-20 00:28:39 -04:00
Wirawan Purwanto
b3f1877f73 * Initial version of nwchem "build05": Using "OPENIB" backend. 2021-04-15 12:41:17 -04:00
Wirawan Purwanto
67c05e7efd * Added small build notes for nwchem on Wahab. 2021-04-15 12:40:55 -04:00
Wirawan Purwanto
08dfff3ce4 * Modifications for building armci-mpi on the Wahab's install location. 2021-04-15 12:40:36 -04:00
Wirawan Purwanto
8cf081b4b1 * Copied armci-mpi build script from ODU container repo.
This is taken from commit #dd7cf94ecdb1c1368fed2458c4f45bd95e1a140c
   from ODU container repo. No changes were made at all.
2021-04-14 12:01:31 -04:00
Wirawan Purwanto
b97592a8c7 * Copied "build04" nwchem build script from ODU container repo.
This is taken from commit #a278c9cb246fc267f93018e607856c1141942d32
  from ODU container repo. No changes were made at all.
2021-04-14 11:36:44 -04:00
Wirawan Purwanto
d68c1cc608 * Wahab: Imported comsol-51, last modified 2021-02-11 to accommodate
launching from another SLURM job (e.g. OOD virtual desktop interface).
2021-02-12 15:16:43 -05:00