[gmx-users] How can I best setup the nodes number

#ZHAO LINA# ZHAO0139 at e.ntu.edu.sg
Wed Oct 6 10:43:15 CEST 2010


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.

Thanks and best regards,

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