[gmx-users] make check problem

[Mark Abraham]

Hi,

Please tell people important things like that the first time. Nobody's paid
to give help about GROMACS ;-) You will need to follow their instructions
closely, and if so the normal GROMACS "make check" may work. But they are
the people to ask about that.

Mark

On Fri, Aug 21, 2015 at 10:25 AM Zhenyu Meng <fdmm1989 at gmail.com> wrote:

> Hi Mark,
> Yes, actually I add a DFTB patch to GROMACS:
>
> http://129.13.250.127/joomla/index.php/downloads/18-gromacs-with-qm-mm-using-dftb3
> Just wonder will such failure affect my simulation?
>
> 2015-08-21 15:14 GMT+08:00 Mark Abraham <mark.j.abraham at gmail.com>:
>
> > Hi,
> >
> > It's highly likely you've changed something about your system between
> when
> > you configured and when you ran, e.g. different shared library setup, or
> > something like that. On a well-configured machine, that still shouldn't
> > happen, but...
> >
> > Mark
> >
> > On Fri, Aug 21, 2015 at 8:28 AM Zhenyu Meng <fdmm1989 at gmail.com> wrote:
> >
> > > Dear all,
> > > I have installed GROMACS 5.0 and run make check, some tests fail:
> > >
> > > The following tests FAILED:
> > >           1 - TestUtilsUnitTests (SEGFAULT)
> > >           3 - CommandLineUnitTests (SEGFAULT)
> > >           4 - FFTUnitTests (SEGFAULT)
> > >           5 - OnlineHelpUnitTests (SEGFAULT)
> > >           7 - UtilityUnitTests (SEGFAULT)
> > >          11 - AnalysisDataUnitTests (SEGFAULT)
> > >          12 - SelectionUnitTests (SEGFAULT)
> > >          13 - TrajectoryAnalysisUnitTests (SEGFAULT)
> > > Errors while running CTest
> > > make[3]: *** [CMakeFiles/run-ctest] Error 8
> > > make[2]: *** [CMakeFiles/run-ctest.dir/all] Error 2
> > > make[1]: *** [CMakeFiles/check.dir/rule] Error 2
> > > make: *** [check] Error 2
> > >
> > > Anyone knows what's wrong? I guess maybe it's due to the compiler but
> I'm
> > > not very sure.
> > > The report file is too large to post. Anyone who want to know the
> details
> > > can contact me for it.
> > >
> > > --
> > > Sincerely,
> > > Mr. Meng Zhenyu
> > > Division of Chemistry and Biological Chemistry
> > > School of Physical and Mathematical Sciences
> > > Nanyang Technological University
> > > --
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>
> --
> Sincerely,
> Mr. Meng Zhenyu
> Division of Chemistry and Biological Chemistry
> School of Physical and Mathematical Sciences
> Nanyang Technological University
> --
> Gromacs Users mailing list
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