For me, this is the 11 April version (.tar.bz2). At least, I think it is. Is there a more recent? Is there a way for me to check for certain which one I have?
:-) Lachele
--
B. Lachele Foley, PhD '92,'02
Assistant Research Scientist
Complex Carbohydrate Research Center, UGA
706-542-0263
lfoley.ccrc.uga.edu
----- Original Message -----
From: David A. Case
[mailto:case.scripps.edu]
To: amber-developers.scripps.edu
Sent: Tue, 15 Apr
2008 15:08:57 -0400
Subject: Re: amber-developers: Testing Parallel
> On Tue, Apr 15, 2008, Ross Walker wrote:
>
> > > possible FAILURE: check mdout.tip5p.dif
> > > /scratch2/sysadmin_test/amber10/test/tip5p
> > > 180,181d179
> > < EKCMT = 0.2952 VIRIAL = 9.6699 VOLUME =
> > 0.0001
> > < Density =
> > 0.
> >
> > I get this one as well on my x86_64 - The save file is missing these two
> > lines on the end of the RMS Fluctuations.
>
> Are you running with an old CVS? Note that in your dif file, the extra
> lines
> are in the save file (marked by "<"). and not in the new ouptut (which would
> be marked by ">").
>
> Basically, parallel sander is broken here (I'm guessing), since serial
> sander,
> serial pmemd and parallel pmemd all give the answer you call "good", and
> which
> looks correct to me. Somehow, that rms fluctuations in volume are getting
> mangled in parallel sander.
>
> I'll revert the save file to vesion 9.3. But I'm still confused about your
> result....
>
> ...dac
>
>
Received on Fri Apr 18 2008 - 21:19:37 PDT