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Hello! |
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|
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I don't know whether to file a bug report or not. First I'd like to hear |
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some suggestions. |
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I'm pretty desperate now. |
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|
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I cannot get gromacs to run with PME enabled (which requires fftw) on |
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gentoo. |
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If I turn off PME the job runs. |
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|
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I tried nearly all combinations of fftw (2.1.5, 3.0, 3.1) and also the |
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two latest gromacs versions (3.2.1-r1, 3.3, 3.3-r1 from bugzilla). |
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I turned off mpi, sse, 3dnow and resetted CFLAGS to "-O2 -march=i686" |
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(also on fftw) but nothing gives me a working gromacs :-( |
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I also tried the (slow) built-in fftpack - same result: gromacs stops |
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after some steps (sometimes with segfault) |
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I used gcc (GCC) 3.4.5 (Gentoo 3.4.5, ssp-3.4.5-1.0, pie-8.7.9). |
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|
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Did somebody of got gromacs running with PME on gentoo? |
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The same job runs with the original gromacs-3.2.1-rpms installed on a |
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SUSE-9.3 system. |
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|
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Mathias |
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-- |
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gentoo-science@g.o mailing list |
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