Re: [OMPI users] crashes in VASP with openmpi 1.6.x

2012-10-03 Thread Noam Bernstein
Thanks to everyone who answered, in particular Ake Sandgren, it appears to be a weird problem with acml that somehow triggers a seg fault in libmpi, but only when running on Opterons. I'd still be interested in figuring out how to get a more complete backtrace, but at least the immediate problem i

Re: [OMPI users] crashes in VASP with openmpi 1.6.x

2012-10-02 Thread Albert Everett
For what it's worth, on our cluster I currently do compile VASP with OpenMPI but we do not include ScaLAPACK because we didn't see a speedup from including it. So far we haven't seen improvements from using OpenMP in VASP or MKL, so we're not doing much with OpenMP either. On our shared memory