GROMACS modification: No
I need help set up de parallelization gromac on a cluster.
I have access to a cluster in our university. I have four nodes, each one has 24 threads. Likewise, I installed gromac in two nodes, with SIMD option on cmake compilation. Wight the best way to check if the parallelization are working ?
The log file should tell you how many cores were detected and run on, and should give you a performance summary at the bottom.
The Gromacs performance tuning documentation has examples for running on multiple nodes