md chignolin and ntl9 slow

radical-collaboration / extasy-grlsd

Repository to hold the input data and scripts for the ExTASY gromacs-lsdmap work

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Closed euhruska closed 6 years ago

euhruska commented 6 years ago

md simulation of chignolin and ntl9 on bw is at 20ns/day , 10 ns/day, while on GTX1080 it's 400ns/day and 200ns.day

euhruska commented 6 years ago

bluewaters has updated and not the speed is 60 ns/day for ntl9 and 600ns/day for ala12

euhruska commented 6 years ago

fixed