Posted by Piotr Stuglik on July 04, 2013 at 12:52:34:
I've compiled Molcas78 using gf, openmpi 1.4.4. After adding par_root (as suggested by Victor in my previous thread; not sure why it hasn't been added automatically from the environment variables, though) Molcas78 finishes all tests without any problems.
The thing is, it uses just one node (it may use multiple processors). We use PBS queuing system. The command I'm using to run an interactive job is:
qsub -q short6h -I -l select=3:ncpus=4:mpiprocs=4:mem=2000MB,place=scatter
Which files would you need me to provide in order to make diagnosis possible?
Thank you in advance
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