[CP2K:4457] cp2k on SGI Altix ICE with mpt

Alin M Elena alinm... at gmail.com
Sat Jun 15 17:21:53 CEST 2013

Hi Noam,

I have been using it in the past... 
As far as I remember --- I did not manage to track 
down yet one of the arch files I used --- I have never 
had problems with mpt... 
All I had to do special was the way in which I run it...

MPI_GROUP_MAX=256 mpiexec_mpt  $cp2k  
water.inp >  water.out

I will keep digging for an arch file and let you know if 
I find anything.


On Friday 14 Jun 2013 16:11:22 Noam Bernstein 
> Hi - is anyone running CP2K on and SGI Altix ICE 
with mpt, SGI's MPI?  I
> thought it was OK, but some of my QM/MM jobs are 
dying after a few hours
> with an error related to an assertion in 
MPI_SGI_release_context_bit.  The
> stack trace isn't saying anything about where in 
cp2k it's failing.  I know
> it's a long shot, but if anyone happens to have it 
running on such a
> machine, I'd be interested to know what Makefile 
you're using, and what
> mpi/compiler version.
>      thanks,
>      Noam

Without Questions there are no Answers!
Alin Marin ELENA
Advanced Molecular Simulation Research Laboratory
School of Physics, University College Dublin

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