i have a log file from GROMACS patched with plumed 2.7.3 and i dont know whether it is running in parallel or not. i am using 15 nodes with 32 cores per node a total of 480 cores.
i saw the video of the masterclass regarding the optimization of plumed and in the example they had a picture showing number of nodes equal to 1 and number of threads equal to 20.
but in the log file i have 400 nodes and 1 thread. is this correct?
log file:
PLUMED: PLUMED is starting
PLUMED: Version: 2.7.3 (git: Unknown) compiled on May 29 2022 at 08:25:14
PLUMED: Please cite these papers when using PLUMED [1][2]
PLUMED: Root: /sw/xc40cle7up03/gromacs/2021.4/cle7_gnu8.1.0/install_plumed/lib/plumed
PLUMED: For installed feature, see /sw/xc40cle7up03/gromacs/2021.4/cle7_gnu8.1.0/install_plumed/lib>
PLUMED: Molecular dynamics engine: gromacs
PLUMED: Precision of reals: 4
PLUMED: Running over 400 nodes
PLUMED: Number of threads: 1
PLUMED: Cache line size: 512
Thanks