Re: Multi-node-gpu NAMD

From: Axel Kohlmeyer (akohlmey_at_gmail.com)
Date: Wed Apr 14 2021 - 15:46:48 CDT

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n004+n005+n006 would be 3 nodes not 4.

axel.

On Wed, Apr 14, 2021 at 2:24 PM Ropon-Palacios G. <biodano.geo_at_gmail.com>
wrote:

> Dear user,
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> I’m try run NAMD on 4 node each with 2 GPU Tesla K80
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> My PBS file
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> #PBS -N test_nand_GPU
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> #PBS -l nodes=n004+n005+n006:ppn=28:gpus=2
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> cd $PBS_O_WORKDIR
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> /opt/shared/NAMD_2.13-multinode-gpu/charmrun
> /opt/shared/NAMD_2.13-multinode-gpu/namd2 +idlepoll +p 12 +devices 0 ++ppn
> 4 run_fixed/md_run.namd | tee md2.log
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> When set “+devices 0,1” not run, only run when set to 0 .
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> How can correct it?
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> Help me.
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> Geo.
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>

-- 
Dr. Axel Kohlmeyer  akohlmey_at_gmail.com  https://urldefense.com/v3/__http://goo.gl/1wk0__;!!DZ3fjg!uHBiqpz2dukYWF-FoQUTWxEZ5i9wMU8PEuhkpL_WqkzPYwXo3GskTToKR0Ckc30neg$ 
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.

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