QuantumATK Forum

QuantumATK => Installation and License Questions => Topic started by: voves on January 27, 2011, 15:04

Title: Parallel calculations using ATK 10.8.2
Post by: voves on January 27, 2011, 15:04

There exists any manual for parallel calculations using ATK 10.8.2 similar to manual for 2008.10 version? Are they any changes? Should I run atkpython instead of atk by testing using mpiexec?
I have problem Lamnodes Failed during mpiexec start.
Thanks for any help
Jan

Title: Re: Parallel calculations using ATK 10.8.2
Post by: Anders Blom on January 27, 2011, 15:54

Even better: http://quantumwise.com/documents/tutorials/ParallelGuide

I'm not sure you can use LAM with ATK, however, it's at least not officially supported. I believe it's associated with OpenMPI which we explicitly do not support; you need to use a MPICH2-compatible MPI library like Intel MPI or MPICH2 itself of course.

Title: Re: Parallel calculations using ATK 10.8.2
Post by: voves on January 28, 2011, 11:53

Thanks Anders, I did not find this manual.

Jan