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Re: [bgl-discuss] charmm on ALCF/BlueGene

To: prabha@xxxxxxxxxxxxxxx (Prabhakar Bhimalapuram)
Subject: Re: [bgl-discuss] charmm on ALCF/BlueGene
From: Ray Loy <rloy@xxxxxxxxxxx>
Date: Thu, 06 Mar 2008 20:22:13 -0600
Cc: discuss@xxxxxxxxxxxxxxx
Comments: In-reply-to prabha@bgl.mcs.anl.gov (Prabhakar Bhimalapuram) message dated "Thu, 06 Mar 2008 17:32:08 -0600."
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Prabhakar,

I have built c34a2 on BG/P.  I'll send you the scripts and if I have a
chance I will try it on BG/L.  Please be warned that it will not scale
above ~32 procs.  Also, the "LARGE" build is the max for BG/P in vn
mode; BG/L has only half the mem per core so a smaller build will be
necessary.


Ray


> Hello!
>  I am trying to build parallel version of CHARMM c34b1 version on
>  BGL, with out success. Has anybody tried it ? If yes, can I get the
>  compile scripts/parameters you have used ?

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References:
- [bgl-discuss] charmm on ALCF/BlueGene
  - From: Prabhakar Bhimalapuram

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