Re: amber-developers: Extra Points Calculation

From: Volodymyr Babin <>
Date: Tue, 11 Nov 2008 15:17:39 -0500 (EST)

On Tue, November 11, 2008 15:00, Lachele Foley wrote:
> I made clean first.

I probably misunderstood you then.

> I just did a serial run (despite any complaints about not being able to
> get to it). It gives the same, or very similar, 14000-step result.


> Attached is input and output from a short series of 14-step runs (serial,
> MPI with one proc, MPI with 2 procs, MPI with 4 procs). Let me know if I
> misunderstood you and there was some other set of runs that would be
> better. It hardly looks as if it's done anything.

These look perfectly fine, i.e., the output does not depend on the
number of cpus, which is good.

Received on Fri Dec 05 2008 - 14:29:53 PST
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