[gmx-users] make check error

[Anna Vernon]

after doing this:
cmake .. -DMPIEXEC=mpirun -DMPIEXEC_NUMPROC_FLAG=-np -DNUMPROC=2,
-DNUMPROC=3, -DNUMPROC=4, -DNUMPROC=5, -DNUMPROC=6, -DNUMPROC=7,-DNUMPROC=8
make
make check
I get this:
The following tests FAILED:
     21 - MdrunMpiTests (Not Run)
     26 - regressiontests/pdb2gmx (Failed)
Errors while running CTest
CMakeFiles/run-ctest.dir/build.make:49: recipe for target
'CMakeFiles/run-ctest' failed
make[3]: *** [CMakeFiles/run-ctest] Error 8
CMakeFiles/Makefile2:960: recipe for target 'CMakeFiles/run-ctest.dir/all'
failed
make[2]: *** [CMakeFiles/run-ctest.dir/all] Error 2
CMakeFiles/Makefile2:936: recipe for target 'CMakeFiles/check.dir/rule'
failed
make[1]: *** [CMakeFiles/check.dir/rule] Error 2
Makefile:544: recipe for target 'check' failed
make: *** [check] Error 2


On 20 October 2016 at 15:40, Mark Abraham <mark.j.abraham at gmail.com> wrote:

> Hi,
>
> It'd be great to be able to make all things clear to all people, but one
> person's clarity is another's verbosity :-( But do see
> http://manual.gromacs.org/documentation/2016/install-
> guide/index.html#using-cmake-command-line-options
> .
>
> Is an example of "cmake -DMPIEXEC=mpirun -DMPIEXEC_NUMPROC_FLAG=-np
> -DNUMPROC=6..." more clear, given that many people will want to customise
> at least one value?
>
> Mark
>
> On Thu, 20 Oct 2016 23:29 Anna Vernon <lappala.anna at gmail.com> wrote:
>
> > hi
> >
> > This passage (the one of interest in my case) of documentation is
> cryptic:
> >
> >
> > The make check target also runs integration-style tests that may run with
> > MPI if GMX_MPI=ON was set. To make these work, you may need to set the
> > CMake variables MPIEXEC, MPIEXEC_NUMPROC_FLAG, NUMPROC, MPIEXEC_PREFLAGS
> > and MPIEXEC_POSTFLAGS so that mdrun-mpi-test_mpi would run on multiple
> > ranks via the shell command
> >
> > ${MPIEXEC} ${MPIEXEC_NUMPROC_FLAG} ${NUMPROC} ${MPIEXEC_PREFLAGS} \
> >       mdrun-mpi-test_mpi ${MPIEXEC_POSTFLAGS} -otherflags
> >
> > Typically, one might use variable values mpirun, -np, 2, '', ''
> > respectively, in order to run on two ranks.
> > Is it possible to explain this more clearly? there are gazillions of
> files
> > in the cmake folder; where do I actually add the bit of code that sets
> the
> > variables?
> >
> > On 20 October 2016 at 07:56, Mark Abraham <mark.j.abraham at gmail.com>
> > wrote:
> >
> > > Hi,
> > >
> > > "make check" runs ctest behind the scenes. You can get some more
> > > information by running ctest directly. From your build directory, try
> > >
> > > ctest --output-on-failure --tests-regex "MdrunMpiTests"
> > > However, I suspect your issues may be already covered at
> > > http://manual.gromacs.org/documentation/2016/install-
> > > guide/index.html#testing-gromacs-for-correctness
> > > e.g.
> > > that you have done an MPI build, but you need to customize how you
> start
> > > your MPI enabled binaries.
> > >
> > > Mark
> > >
> > > On Thu, Oct 20, 2016 at 9:59 AM Anna Vernon <lappala.anna at gmail.com>
> > > wrote:
> > >
> > > trying  to compile gromacs 2016, upon execution of make check i get
> this:
> > >
> > > The following tests FAILED:
> > >       21 - MdrunMpiTests (Failed)
> > >       26 - regressiontests/pdb2gmx (Failed)
> > > Errors while running CTest
> > > CMakeFiles/run-ctest.dir/build.make:49: recipe for target
> > > 'CMakeFiles/run-ctest' failed
> > > make[3]: *** [CMakeFiles/run-ctest] Error 8
> > > CMakeFiles/Makefile2:960: recipe for target
> > > 'CMakeFiles/run-ctest.dir/all' failed
> > > make[2]: *** [CMakeFiles/run-ctest.dir/all] Error 2
> > > CMakeFiles/Makefile2:936: recipe for target 'CMakeFiles/check.dir/rule'
> > > failed
> > > make[1]: *** [CMakeFiles/check.dir/rule] Error 2
> > > Makefile:544: recipe for target 'check' failed
> > > make: *** [check] Error 2
> > >
> > >
> > > Can someone help please
> > > --
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