i am using NAMD to do an MDS run on a supercomputer. but i want to know what is the number of cores to use to make it run very faster?
supercomputer nodes: 6158
supercomputer cpu-per-node: 32
i tried 32 nodes and it did a 20 ns run of nearly 3000 amino acids in 19 hours.
can it be faster than this?
thanks