From: Mathias Weigt <m.weigt@uni-bonn.de>
To: gentoo-science@lists.gentoo.org
Subject: Re: [gentoo-science] Problems with gromacs and fft
Date: Wed, 08 Feb 2006 20:34:43 +0100 [thread overview]
Message-ID: <43EA47D3.40109@uni-bonn.de> (raw)
In-Reply-To: <200602081629.40921.Florian.Haberl@chemie.uni-erlangen.de>
Servus!
Meanwhile I found the solution for the gromacs-3.3 problem and there is
an ebuild with a patch for PME in bugzilla:
http://bugs.gentoo.org/show_bug.cgi?id=118421
Gromacs-3.3 seems to run now. I still have no idea why gromacs-3.2.1
didn't want to run my pme-calculation but this isn't of interest
anymore. I think we stick to patched gromacs-3.3 now.
(The problem with pme did not occur on every system - e.g. not with the
demo with pme enabled)
Thanks for your response
Mathias
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next prev parent reply other threads:[~2006-02-08 19:36 UTC|newest]
Thread overview: 4+ messages / expand[flat|nested] mbox.gz Atom feed top
2006-02-08 11:18 [gentoo-science] Problems with gromacs and fft Mathias Weigt
2006-02-08 15:29 ` Florian Haberl
2006-02-08 19:34 ` Mathias Weigt [this message]
2006-02-09 0:14 ` Donnie Berkholz
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