Re: [AMBER] tutorial A6

From: David A Case <case.biomaps.rutgers.edu>
Date: Mon, 31 Oct 2011 08:24:19 -0400

On Sun, Oct 30, 2011, leila karami wrote:
>
> for thermodynamic integration, should cpu cores be greater than 2?

The number of threads (-np argument to mpirun) must be a multiple of 2.
2 itself is fine.

....dac


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Received on Mon Oct 31 2011 - 05:30:06 PDT
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