[gmx-users] make check problem

[Zhenyu Meng]

Hi Mark,
Sorry about my fault. I will take care later.
Thanks again for your help.

2015-08-21 16:41 GMT+08:00 Mark Abraham <mark.j.abraham at gmail.com>:

> 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
> > --
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-- 
Sincerely,
Mr. Meng Zhenyu
Division of Chemistry and Biological Chemistry
School of Physical and Mathematical Sciences
Nanyang Technological University