Allow use of gmx_mpi#406

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jotelha wants to merge 2 commits intoshirtsgroup:masterfrom

jotelha:2026-01-28-use-gmx-mpi

Commits on Jan 28, 2026

ENH: use gmx_mpi if available
jotelha
committed
MAINT: don't set the number of threads for gmx ecplicitly, as setting the total number of threads is only supported with thread-MPI and GROMACS might have been compiled without thread-MPI
jotelha
committed