Script to automatically download and install OpenMM build dependencies, build
OpenMM from source, then run the OpenMM benchmark suite and save the results.

Can run with:

curl -LOf https://raw.githubusercontent.com/epretti/openmm-benchmark/refs/heads/master/openmm-benchmark.sh && chmod +x openmm-benchmark.sh && ./openmm-benchmark.sh

Arguments are passed on from openmm-benchmark.sh to OpenMM's benchmark.py, so,
e.g., you can run a multi-GPU benchmark by replacing ./openmm-benchmark.sh with

./openmm-benchmark.sh --test=amber20-cellulose,amber20-stmv --device=0,1,...

(Use the actual device indices for the GPUs you want to benchmark.)

Run analyze.py with JSON files output by the benchmark script as arguments to
summarize benchmark results.