CryoEM-GB-workflow-analysis

Analysis of workflow runs for the CryoEM-MD-AI Gordon Bell Submission

Analysis input files stored in: /lambda_stor/homes/abrace/data/intelligent-resolution-cryoem-2022.tar.gz

Runs in: /global/cfs/cdirs/m1759/msalim/

production-thetagpu-0 : the first cross site run where we had big reservation on both systems, but ThetaGPU was lagging a lot
perlmutter-production-final: the Thursday night run with only 1 GPU on Theta for AI; and 40 nodes going fast on Perlmutter (bottlenecked by tarring!)
production-cross2: Friday morning's new run with 4 Theta nodes + 40 perlmutter (we think we fixed stuff)

Name		Name	Last commit message	Last commit date
Latest commit History 19 Commits
.gitignore		.gitignore
ANCA_AE_7egq.ipynb		ANCA_AE_7egq.ipynb
README.md		README.md
Untitled.ipynb		Untitled.ipynb
anca_ae.ipynb		anca_ae.ipynb
anca_ae_results.tar.gz		anca_ae_results.tar.gz
average_ns_per_day.py		average_ns_per_day.py
hw-monitor.py		hw-monitor.py
md_steps.ipynb		md_steps.ipynb
misha-notebook.ipynb		misha-notebook.ipynb
misha-perf-data.tar.gz		misha-perf-data.tar.gz
ns_per_day.csv		ns_per_day.csv
ns_per_day.py		ns_per_day.py
sampling.py		sampling.py
sampling_efficiency.ipynb		sampling_efficiency.ipynb
utilization_production-cross2.pdf		utilization_production-cross2.pdf
utilization_production-cross2.png		utilization_production-cross2.png

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