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… the total number of threads is only supported with thread-MPI and GROMACS might have been compiled without thread-MPI
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Sometimes, i.e. on HPC environments, only the MPI-parallel
gmx_mpiis available. In addition, GROMACS might have been compiled without compiled without thread-MPI support, which will make executable fail with an error when number of threads is explicitly specified with-nt 1.