From owner-nwchem-users  Wed Oct  9 11:54:26 2002
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Date: Wed, 09 Oct 2002 11:41:53 -0700
From: Jarek Nieplocha <jarek.nieplocha@pnl.gov>
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To: Zoe Cournia <zoe.cournia@iwr.uni-heidelberg.de>
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Subject: Re: NWChem on SCore system
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Zoe Cournia wrote:

> Greetings everybody,
> 
> I have the following question:
> 
> Has anybody installed and successfully ran NWCHEM on a SCore system 
> (www.pccluster.org) ?
> Currently we are facing problems related to starting of jobs by the 
> GA/ARMCI library.
> 
> Thanks,
> Zoe
> 



Zoe,

ARMCI has not been ported to the Score proprietary PM
communication interface. We do not have access to this
research/experimental cluster software environment.
You should still be able to use TCP/IP sockets unless
the Score version is not fully compatible with
the standard Linux interfaces. It is quite
possible that they disabled fork() in MPI programs.
In such a case you could still configure ARMCI to use threads
rather than processes. Please send us details about
the problem.

BTW, if you know somebody from the Score team and
they are willing  to help we could look together on
how to port ARMCI to use their native PM protocol.

Jarek