Speaker
Josh Karpel
(UW-Madison Department of Physics)
Summary (2-4 sentences)<br>Just a few informal sentences describing what you want to present.<br>No need to spend a lot of time on this! You can change it later.
Discuss my use of Python to run high-throughput computational quantum mechanics simulations using HTCondor. Focus on Python as "glue":
- All the computation is done in optimized C/Fortran code via numpy/scipy/Cython
- Store rich data by using pickle to write Python objects to disk
- Generate input data/submit files/job directories programatically via "questionnaire"-style scripts
- Automate data transfer from the cluster using FTP via Paramiko
- Collect, process, and store results using pandas and sqlite
- Visualization using matplotlib
Because everything happens in Python, it's easy to make a cohesive, automated, programmatic (i.e., not manual) workflow.
Availability of the Speaker<br>Let us know if there are times you CANNOT present,<br>prehaps because you need to leave for the airport early, etc.
Available any time, any day, any where.
Primary author
Josh Karpel
(UW-Madison Department of Physics)
