Search found 2 matches

by Michael Shirts
Wed Apr 19, 2017 4:39 pm
Forum: OpenMM
Topic: Benchmarks/informed guesses for OpenMM GPU speed on a 200K atom system?
Replies: 4
Views: 834

Re: Benchmarks/informed guesses for OpenMM GPU speed on a 200K atom system?

Which I plan on doing eventually, but doesn't help when I still need to find a GPU equivalent to Amazon AWS (or get set up there) and get everything set up there rather than my laptop, and could use an estimate tonight :)
by Michael Shirts
Wed Apr 19, 2017 4:26 pm
Forum: OpenMM
Topic: Benchmarks/informed guesses for OpenMM GPU speed on a 200K atom system?
Replies: 4
Views: 834

Benchmarks/informed guesses for OpenMM GPU speed on a 200K atom system?

I'm interested to know if there are any benchmarks / examples of OpenMM GPU speed on a 200K atom system, explicit solvent, PME, 2 fs step. I didn't see any on the web page, but thought people might know some examples.