2010/5/14 Jan Schulze <schulze.informatik.uni-tuebingen.de>
> I have been compiling serial and parallel Amber 11 with gcc 4.5.0 and
> openmpi 1.3.3. The test suites of amber tools and serial amber are
> successful and do not have any test failures. When testing parallel amber
> with 2 processors, almost all tests are successful - three tests show very
> small test differences.
>
> However, when testing parallel amber with 4 processors, the test suite
> hangs at neb-testcases for many hours (> 48h) and never finishes:
>
>
I've investigated this problem found on Fedora 12 with OpenMPI 1.4. It seems
to be OpenMPI compilation problem. Try compat-gcc (v. 3.X) for OpenMPI. It
helped [me].
PS Also this bug may be already fixed in new versions of OpenMPI.
--
Sincerely,
Dmitry Mukha
Institute of Bioorganic Chemistry, NAS of Belarus
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Received on Fri May 14 2010 - 21:00:03 PDT
