Hello, I was wondering what the scale up was with GROMACS 3.3.1 on 8 or 16 processors. Here are my benchmarks:
Hardware: Dell PowerEdge 2950, 2x 2,66Ghz Intel Woodcrest CPUs, 8 GB Ram, 2x Gigabit Ethernet GROMACS 3.3.1: 240000 atoms, PME, 1.0 nm real cutoff processors ns/day 1 0.141 2 0.253 4 0.409 8 0.232 16 0.107 Do I need to recompile with some other options ? Or is this the best I can get ? Will another type of network improve performance ? It seems communication is the rate limiting step for 8 or 16 cores ? Thank you for the help, -Maria -- Maria G. Technical University of Denmark Copenhagen
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