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Benchamrking MD on PHYS MPU cluster

Project description

Only works on PHYS cluster Only tests up to 4 nodes Need the topology file in the directory where you execute the script Benchmark results will be printed under filename Benchmark_Perfomance.png in the same directory where script was executed Check progress by executing squeue -n bingo in terminal (when no jobs are running, results should be available)

NEED TO LOAD ANACONDA/3/2020.2 ON PHYS CLUSTER PRIOR TO USING LIB

If you download all the code on personal comp (best method) Execute the following: module load anaconda/3/2020.02 python3 from phys_benchmark import num_nodes num_nodes("# of nodes you want to test -- 4 nodes max) exit()

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