PLUMED is partly parallelized using OpenMP. This should be enabled by default if your compiler supports it, and can be disabled with --disable-openmp
.. At runtime, you should set the environment variable PLUMED_NUM_THREADS to the number of threads you wish to use with PLUMED. The number of OpenMP threads can be set either by the MD code, if implemented in the patch, or generally by setting PLUMED_NUM_THREADS. If they are not set openmp will be disabled at runtime.
E.g., to run with gromacs you can do:
export PLUMED_NUM_THREADS=8 mdrun -plumed
or as well
mdrun -plumed -ntomp 8
In the first case the number of OpenMP threads used by plumed is 8 while the one used by gromacs can be 1 or something else, this is usually sub optimal. In the second case GROMACS and plumed will use the same number of OpenMP threads.
Notice that: