Metadata-Version: 2.1
Name: phys-benchmark
Version: 0.0.1
Summary: Benchamrking MD on PHYS MPU cluster
Home-page: https://github.com/
Author: Adelie Louet
Author-email: adelie.louet@biophys.mpg.de
Classifier: Programming Language :: Python :: 3
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: OS Independent
Requires-Python: >=3.7
Description-Content-Type: text/markdown

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()

