Re: Molcas78 - GCC 4.8.1, MVAPICH2 1.9 - compilation error.

[ Molcas user's WWWBoard ]

Posted by Piotr Stuglik on July 13, 2013 at 09:39:11:

In Reply to: Re: Molcas78 - GCC 4.8.1, MVAPICH2 1.9 - compilation error. posted by Valera on July 12, 2013 at 16:07:26:

Which GCC/Intel versions do you recommend? And which MPI (distro and version)? I've been able to compile with above mentioned compiler but it still doesn't work on multiple nodes with MVAPICH2 1.9. Neither does OpenMPI 1.6.4, 1.6.3, 1.4.4 and 1.4.3.

Compilation GCC 4.7.2 with OpenMPI 1.6.3 works on and off. It can sometimes run all of the tests effortlessly and other times it may stumble/freeze on random tests and the process has to be killed in order to proceed.

I've done around 10 comprehensive tests for this and it's clear that the problem is test- and node-invariant (same test can or can not work on the same or different node). It must be related to Molcas - MPI cooperation.



Follow Ups:

Post a Followup



if B is 1s22s22p1, what is Li?



[ Follow Ups ] [ Post Followup ] [ Molcas user's WWWBoard ]