[gmx-users] Failed tests, need help in troubleshooting

[Szilárd Páll]

What is the hardware you are running this on? Can you share a log file,
please?
--
Szilárd


On Mon, Apr 22, 2019 at 9:24 AM Cameron Fletcher (CF) <
circumflex at disroot.org> wrote:

> Hello,
>
> I have installed gromacs 2019.1 on CentOS 7.6 .
> While running regressions tests 2019.1 certain tests are failing with
> errors.
>
> I have attached list of some failed tests.
>
>
> Since I am using gcc compilers and openmpi from openhpc repositories
> the below command was used for cmake.
>
>         cmake ..
> -DCMAKE_C_COMPILER=/opt/ohpc/pub/compiler/gcc/7.3.0/bin/gcc
> -DCMAKE_CXX_COMPILER=/opt/ohpc/pub/compiler/gcc/7.3.0/bin/c++
> -DGMX_BUILD_OWN_FFTW=ON -DGMX_MPI=on -DGMX_GPU=on -DGMX_USE_OPENCL=on
>
> cmake version: 3.13.4
> gcc version: 7.3.0
> openmpi3 version: 3.1.0
>
>
> What should I be doing further for more troubleshooting.
>
>
> --
> CF
>
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