----- Original Message -----
From: #ZHAO LINA# <[email protected]>
Date: Wednesday, October 6, 2010 19:44
Subject: [gmx-users] How can I best setup the nodes number
To: "[email protected]" <[email protected]>
P {margin-top:0;margin-bottom:0;}
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> Hi,
>
> Estimate for the relative computational load of the PME mesh part: 0.33
>
> How do I set how many nodes I should use?
>
> #PBS -l nodes=12:ppn=4
>
> What if the PME mesh part has different values?
>
> is it okay? Before I did those kind of very blindly, just based on the most
> nodes I can use to hopefully run quickly.
There's some discussion in manual 3.17.5.
Mark
|
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