cpu only
mpirun --bind-to core --map-by hwthread -use-hwthread-cpus -np 128 \
gmx_mpi mdrun -ntomp 1 -nb cpu -pin on -notunepme -dlb yes -v \
-resethway -noconfout -nsteps 4000 -s
AMD EPYC 7742 64-Core Processor x 2
Core t (s) Wall t (s) (%)
Time: 8852.743 69.164 12799.6
(ns/day) (hour/ns)
Performance: 4.999 4.801