From mboxrd@z Thu Jan 1 00:00:00 1970 Received: from lists.gentoo.org ([140.105.134.102] helo=robin.gentoo.org) by nuthatch.gentoo.org with esmtp (Exim 4.54) id 1F6zTr-0005h3-Kh for garchives@archives.gentoo.org; Thu, 09 Feb 2006 00:16:16 +0000 Received: from robin.gentoo.org (localhost [127.0.0.1]) by robin.gentoo.org (8.13.5/8.13.5) with SMTP id k190FXXf012872; Thu, 9 Feb 2006 00:15:33 GMT Received: from smtp.gentoo.org (smtp.gentoo.org [134.68.220.30]) by robin.gentoo.org (8.13.5/8.13.5) with ESMTP id k190FWt8024486 for ; Thu, 9 Feb 2006 00:15:33 GMT Received: from c-67-171-150-177.hsd1.or.comcast.net ([67.171.150.177] helo=[192.168.1.106]) by smtp.gentoo.org with esmtpa (Exim 4.54) id 1F6zTA-00044A-FQ for gentoo-science@lists.gentoo.org; Thu, 09 Feb 2006 00:15:32 +0000 Message-ID: <43EA8958.9080200@gentoo.org> Date: Wed, 08 Feb 2006 16:14:16 -0800 From: Donnie Berkholz User-Agent: Mail/News 1.5 (X11/20060208) Precedence: bulk List-Post: List-Help: List-Unsubscribe: List-Subscribe: List-Id: Gentoo Linux mail X-BeenThere: gentoo-science@gentoo.org Reply-to: gentoo-science@lists.gentoo.org MIME-Version: 1.0 To: gentoo-science@lists.gentoo.org Subject: Re: [gentoo-science] Problems with gromacs and fft References: <43E9D383.4040606@uni-bonn.de> <200602081629.40921.Florian.Haberl@chemie.uni-erlangen.de> <43EA47D3.40109@uni-bonn.de> In-Reply-To: <43EA47D3.40109@uni-bonn.de> X-Enigmail-Version: 0.94.0.0 Content-Type: multipart/signed; micalg=pgp-sha1; protocol="application/pgp-signature"; boundary="------------enig5D8BD7DD527ECC015382AAB5" X-Archives-Salt: dea6503d-4a74-4cff-96c0-e722540f7ace X-Archives-Hash: b6c94574fb9628c0190c3855b57e4ff4 This is an OpenPGP/MIME signed message (RFC 2440 and 3156) --------------enig5D8BD7DD527ECC015382AAB5 Content-Type: text/plain; charset=ISO-8859-1 Content-Transfer-Encoding: quoted-printable Mathias Weigt wrote: > Servus! >=20 > 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=3D118421 >=20 > 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. >=20 > (The problem with pme did not occur on every system - e.g. not with the= > demo with pme enabled) I'm looking to add that version once we get things finalized on the bug. Until then, if somebody feels like developing it in the science overlay, they can. Same goes for fftw-3.1, although I haven't really touched fftw before -- that's been ribosome and phosphan. Thanks, Donnie --------------enig5D8BD7DD527ECC015382AAB5 Content-Type: application/pgp-signature; name="signature.asc" Content-Description: OpenPGP digital signature Content-Disposition: attachment; filename="signature.asc" -----BEGIN PGP SIGNATURE----- Version: GnuPG v1.4.2 (GNU/Linux) iD8DBQFD6olaXVaO67S1rtsRAsloAKCnqCIkXSuByHULNvnw9CeeoBWxKQCgpJmr UXTkrlCJy+b6oMnYuMcb5GA= =PfGd -----END PGP SIGNATURE----- --------------enig5D8BD7DD527ECC015382AAB5-- -- gentoo-science@gentoo.org mailing list