From 67c05e7efd6a559fdcf924f4d942571078db4e26 Mon Sep 17 00:00:00 2001 From: Wirawan Purwanto Date: Thu, 15 Apr 2021 12:40:55 -0400 Subject: [PATCH] * Added small build notes for nwchem on Wahab. --- wahab/builds/nwchem/BUILD-NOTES.md | 20 ++++++++++++++++++++ 1 file changed, 20 insertions(+) create mode 100644 wahab/builds/nwchem/BUILD-NOTES.md diff --git a/wahab/builds/nwchem/BUILD-NOTES.md b/wahab/builds/nwchem/BUILD-NOTES.md new file mode 100644 index 0000000..0bcc5c2 --- /dev/null +++ b/wahab/builds/nwchem/BUILD-NOTES.md @@ -0,0 +1,20 @@ +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. +