Protein: p1090_RN24_extended nooooooooooooo
:(

100 frames/ @ 13 minutes


2 minutes less with -forceSSE

239 WU's are being folded now, approx 31 hours away from submitting 4 of those WU's.. which is pretty lousy, seeing as I can submit more then 400 points in gromacs in 1 day.. blah.

tinkers have left the building :woot:

back to folding speedy Gromacs cores ;)

[08:35:48] Assembly optimizations on if available.
[08:35:48] Entering M.D.
[08:35:54] Protein: p212_villinURE212
[08:35:54]
[08:35:54] Writing local files
[08:35:59] Extra SSE boost OK.
[08:35:59] Writing local files
[08:35:59] Completed 0 out of 500000 steps (0)
[08:51:58] Writing local files
[08:51:58] Completed 5000 out of 500000 steps (1)
[09:07:56] Writing local files
[09:07:56] Completed 10000 out of 500000 steps (2)
[09:24:04] Writing local files
[09:24:04] Completed 15000 out of 500000 steps (3)

and this is a gromac :grum:

16 minutes/frame :*

yep, sweet spot for Gromacs seem to be between 68-78 pointers :)

78 WU, 100 steps, 4min/frame

:( this WU will take very long before it's finished. But there seems to be something wrong. My last frame was 7 minutes instead of 17 minutes. there is still hope :D

time per frame seems to flucuate a lot for these Gromacs apparantly


[13:29:15] Completed 435000 out of 500000 steps (87)
[13:53:44] Writing local files
[13:53:44] Completed 440000 out of 500000 steps (88)
[14:18:18] Writing local files
[14:18:18] Completed 445000 out of 500000 steps (89)
[14:42:47] Writing local files
[14:42:47] Completed 450000 out of 500000 steps (90)
[15:07:18] Writing local files
[15:07:18] Completed 455000 out of 500000 steps (91)
[15:31:57] Writing local files
[15:31:57] Completed 460000 out of 500000 steps (92)
[15:56:31] Writing local files
[15:56:31] Completed 465000 out of 500000 steps (93)
[16:21:06] Writing local files
[16:21:06] Completed 470000 out of 500000 steps (94)
[16:45:31] Writing local files
[16:45:32] Completed 475000 out of 500000 steps (95)
[17:10:04] Writing local files
[17:10:04] Completed 480000 out of 500000 steps (96)
[17:34:34] Writing local files

that are just differences of 2 minutes. But I had 1 of 7 minutes and now 16 minutes. That's a much bigger difference.

my point proven :)

:)