Posted by Steven on July 26, 2013 at 13:42:15:
In Reply to: Molcas 7.8 - GCC 4.7.2, Open MPI 1.6.3, GA 5.1.1 - tests 045 and 046 fail on 2 CPU per 4 nodes. posted by Piotr Stuglik on July 22, 2013 at 14:29:24:
: I've been able to make Molcas 7.8 (GCC 4.7.2, Open MPI 1.6.3, GA 5.1.1) work. I've tested it with positive results on 1 node (1 or 2 CPU), 2 nodes (1 or 2 CPU), 3 nodes (1 or 2 CPU), 4 nodes (1 or 2 CPU).
: The thing is, Molcas fails test 045 and 046 on 2 CPU/4 nodes (I've tested it around 20 times). The log files are presented below. Can anyone help me with this? Thanks in advance.
Technically, parallel runs aren't really supported (yet).
Can you configure Molcas with -trace and recompile? That should give some information on where the problem occurs.
grtz
Steven