[gmx-users] building 5.1.2 gives error: ../../lib/libgromacs_mpi.so.1.2.0: undefined reference to `tMPI_

[Mark Abraham]

Hi,

That's pretty strange. It works fine for me. You don't need to set
GMX_THREAD_MPI=off, but it does not have the effect of causing this problem.

Mark

On Wed, Jul 20, 2016 at 5:31 PM Henk Slim <hase3052 at gmail.com> wrote:

> I am new to gromacs and compiled 5.1.2 with the configuration
>
> cmake .. -DGMX_BUILD_OWN_FFTW=ON -DGMX_MPI=ON -DGMX_THREAD_MPI=OFF
>
> The make command gives this error message
>
> Linking CXX shared library ../../lib/libgromacs_mpi.so
> [100%] Built target libgromacs
> Scanning dependencies of target template
> [100%] Building CXX object
> share/template/CMakeFiles/template.dir/template.cpp.o
> Linking CXX executable ../../bin/template
> ../../lib/libgromacs_mpi.so.1.2.0: undefined reference to
> `tMPI_Thread_self'
> etc.
>
> The error persisted after I commented the references to thread_mpi in
> CMakeLists.txt
>
> Is this a known problem?
>
> Thanks
> --
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