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Topic: Speed benchmarking in FRODA (Read 22061 times)
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craig
Thorpe Group
Isostatic
Posts: 80
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One feature that would be rather nice and probably not too tough to implement would be something that regularly outputs the current running speed of the simulation in (say) conformers per minute.
Just a thought.
--craig
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Brandon
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something Stephen and Scott has brought up a whle back was using the ncurses library to have a single "screen" for the running FIRST analysis. Various fields, such as conformer/minute would be updated without having to continue scrolling down the page. I'm looking into this again.
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StephenWells
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One feature that would be rather nice and probably not too tough to implement would be something that regularly outputs the current running speed of the simulation in (say) conformers per minute.
I could make it so that, every time you write a new conformer to file, you get a time check and a report of the currnet runtime and confs so far; maybe drop that into a "FRODA_status" file that gets periodically overwritten. For the online version, I guess the page gets a regular report of confs so far, and could check that against its own clock. |
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