Re: [AMBER-Developers] Second release candidate for AmberTools17

From: David Case <david.case.rutgers.edu>
Date: Tue, 4 Apr 2017 21:37:14 -0400

On Tue, Apr 04, 2017, Dan Roe wrote:

> On Mon, Apr 3, 2017 at 11:26 AM, David Case <david.case.rutgers.edu> wrote:
> > a. do the pmemd tests pass with PGI compilers?
>
> PGI 17.1:
>
> Finished serial test suite for Amber 17 at Tue Apr 4 09:51:06 MDT 2017.
>
> 162 file comparisons passed
> 0 file comparisons failed
> 0 tests experienced errors

Thanks...that indicates that there might(?) be some speed advantage by
using PGI vs. gnu for the cpu version of pmemd. Does anyone know if
this is true or not?

....dac

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Received on Tue Apr 04 2017 - 19:00:03 PDT
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