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| From: | Mathias Weigt <m.weigt@××××××××.de> | ||
|---|---|---|---|
| To: | gentoo-science@l.g.o | ||
| Subject: | Re: [gentoo-science] Problems with gromacs and fft | ||
| Date: | Wed, 08 Feb 2006 19:36:17 | ||
| Message-Id: | 43EA47D3.40109@uni-bonn.de | ||
| In Reply to: | Re: [gentoo-science] Problems with gromacs and fft by Florian Haberl |
||
| 1 | Servus! |
| 2 | |
| 3 | Meanwhile I found the solution for the gromacs-3.3 problem and there is |
| 4 | an ebuild with a patch for PME in bugzilla: |
| 5 | http://bugs.gentoo.org/show_bug.cgi?id=118421 |
| 6 | |
| 7 | Gromacs-3.3 seems to run now. I still have no idea why gromacs-3.2.1 |
| 8 | didn't want to run my pme-calculation but this isn't of interest |
| 9 | anymore. I think we stick to patched gromacs-3.3 now. |
| 10 | |
| 11 | (The problem with pme did not occur on every system - e.g. not with the |
| 12 | demo with pme enabled) |
| 13 | |
| 14 | Thanks for your response |
| 15 | |
| 16 | Mathias |
| 17 | -- |
| 18 | gentoo-science@g.o mailing list |
| Subject | Author |
|---|---|
| Re: [gentoo-science] Problems with gromacs and fft | Donnie Berkholz <spyderous@g.o> |