I am wondering whether PLUMED driver is parallelized. I am calculating RCT in a MetaD where 4 CVs are biased. I cannot calculate RCT on the fly during a MPI run since that will require a large amount of memory. Instead, I am calculating RCT after the simulation. What I found is that calculating RCT is very slow and the process only uses one core. In principle, calculating the summation in RCT could be done in a parallel manner. I am wondering whether I am compiling the code wrong or the RCT part of MetaD is not parallelized?
Hi PLUMED developers,
I am wondering whether PLUMED driver is parallelized. I am calculating RCT in a MetaD where 4 CVs are biased. I cannot calculate RCT on the fly during a MPI run since that will require a large amount of memory. Instead, I am calculating RCT after the simulation. What I found is that calculating RCT is very slow and the process only uses one core. In principle, calculating the summation in RCT could be done in a parallel manner. I am wondering whether I am compiling the code wrong or the RCT part of MetaD is not parallelized?
Thanks, Lizhu