[gmx-users] make check error

[Anna Vernon]

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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