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. +