Re: amber-developers: Extra Points Calculation

From: Ilyas Yildirim <yildirim.pas.rochester.edu>
Date: Wed, 12 Nov 2008 23:05:57 -0500 (EST)

Volodymyr,

I attached the file. Thanks.

On Wed, 12 Nov 2008, Volodymyr Babin wrote:

> > I did not understand your comment; does this test case pass
> > in amber9 you are using or not? In my machine (using mpich2)
> > and in another cluster (using openmpi), I am still getting
> > the error message.
>
> Ilyas,
>
> could you please issue the following command in src/sander
>
> md5sum *.[fh] | gzip --best > ~/amber9.hash.gz
>
> and then send the 'amber9.hash.gz' file to me.
>
> Volodymyr
>
>

-- 
  Ilyas Yildirim, Ph.D.
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Received on Fri Dec 05 2008 - 14:37:16 PST
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