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...1. module load GCC –> now the OpenMPI module is visible 2. module load OpenMPI –> now the GROMACS module is visible 3. module load GROMACS

| -a openmpi || start a parallel job for a distributed-memory system This OpenMPI job will start the [[Parallel_Programming|parallel program]] "myapp.exe" wi

...n below, which adds some slurm specific configuration, adds flags to every OpenMPI build and points to a license file for intel software installations: if self.name == 'OpenMPI':

Before continuing, please make sure that the openmpi or intelmpi module is loaded (go [[Modules|here]] to see how to load/switch

The test is running 4 MPI processes on two separate nodes, to also test the OpenMPI version shipped with EESSI in combination with local InfiniBand hardware.

...per script 'start-with-allinea.sh' to analyze first 64 MPI ranks by using openmpi can look this way:

are [https://www.open-mpi.org OpenMPI], [https://www.mpich.org mpich]