CECAM Workshop 5 - Pre-Workshop Questionnaire
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Software
What is your experience with Python? Do you prefer another scripting language? *
What is your role? *
Required
Computing Platform
What is your experience with high-performance computing? *
What kind of other computing infrastructure do you have access to? *
Are you familiar with different batch-queue systems? Which ones? *
Have you used XSEDE (or PRACE, or another large-scale supercomputer) before? *
Science
Describe your scenario of needing to run more than 1 molecular dynamics (or other) simulation concurrently? *
Do you work with different “ensemble methods”? Which ones? *
How important is it that different ensemble-based methods are amenable to common tools? *
Workflows
How do you construct your “workflows” currently? *
What are the main advantages?
What are the main disadvantages?
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