DOCK memory and CPU benchmark
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Excerpt from email between Ben Tingle and Jiankun Lyu:
JK- I have some more info on how threads/cpus work. It seems that utilizing threads does give more power, but there are diminishing returns. Here are my findings: I experimented on a machine with 40 cores & 80 threads. When running 80 in parallel, the result comes out about 50%(+/-15) faster than running 40 in parallel. You can think of it as 1 core = 1.5 actual cores, or 1 thread = 0.75 of an "actual" core. So a good rule of thumb would be to multiply the number of cores by 1.5 to get the actual parallel potential. Now for memory: Across all docking runs, DOCK never exceeded 311 MB, with an average memory consumption of 219.5 MB. I would say allowing 512 MB per DOCK thread would be a safe value, with some additional memory reserved for the operating system etc.