[gmx-users] make check error

[Mark Abraham]

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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