20 frame WU?
GnomeWizardd
Member 4 LifeAkron, PA Icrontian
This is wierd never seen this before a 20 frame WU Right now I am at 14/20 and its a tinker taking forever too. right now I am at 4 hrs +
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[15:04:54]
[15:04:54] Proj: work/wudata_08
[15:04:54] Done: 22967 -> 145403 (decompressed 633.0 percent)
[15:04:54] nsteps: 1000000 dt: 2.000000 dt_dump: 1000.000000 temperature: 296.000000
[15:04:54] xyzfile:
[15:04:54] " 425 p1109_Kiefhaber_28
[15:04:54] 1 CA -39.832078 -30.151511 85.343143 214..."
[15:04:54] keyfile:
[15:04:54] "parameters ./Kiefhaber.prm
[15:04:54] NOVERSION
[15:04:54] ARCHIVE
[15:04:54]
[15:04:54] cutoff 16.0
[15:04:54] taper 1..."
[15:04:54]
[15:04:54] - Couldn't get size info for dyn file: work/wudata_08.dyn
[15:04:54] Starting from initial work packet
[15:04:54]
[15:04:54] Protein: p1109_Kiefhaber_28
[15:04:54] - Run: 22 (Clone 25, Gen 6)
[15:04:54] - Frames Completed: 0, Remaining: 20
[15:04:54] - Dynamic steps required: 1000000
[15:04:54]
[15:04:54] Writing local files:
[15:04:54]
[15:04:54] parameters work/wudata_08.prm
[15:04:54] - Writing "work/wudata_08.key": (overwrite) successful.
[15:04:54] - Writing "work/wudata_08.xyz": (overwrite) successful.
[15:04:54] - Writing "work/wudata_08.prm": (overwrite) successful.
[15:04:55] - Writing "work/wudata_08.key": (append) successful.
[15:04:55]
[15:04:55] PROJECT="work/wudata_08", NSTEPS=1000000, DT=2.0000, DTDUMP=100.000000, TEMP=296.00
[15:04:55] TINKER: Software Tools for Molecular Design
[15:04:55] Version 3.8 October 2000
[15:04:55] Copyright (c) Jay William Ponder 1990-2000
[15:04:55] portions Copyright (c) Michael Shirts 2001
[15:04:55] portions Copyright (c) Vijay S Pande 2001
[15:24:56] Finished a frame (1)
[15:45:04] Finished a frame (2)
[16:05:08] Finished a frame (3)
[16:25:15] Finished a frame (4)
[16:45:23] Finished a frame (5)
[16:46:26] + Working...
[17:05:48] Finished a frame (6)
[17:26:08] Finished a frame (7)
[17:46:43] Finished a frame (8)
[18:07:03] Finished a frame (9)
[18:27:22] Finished a frame (10)
[18:47:43] Finished a frame (11)
[19:08:05] Finished a frame (12)
[19:29:04] Finished a frame (13)
[19:49:30] Finished a frame (14)
[20:09:54] Finished a frame (15)
[20:31:26] Finished a frame (16)
[20:54:59] Finished a frame (17)
I have had Tinkers take 28.5 minutes on the Prescott here, per frame.
Over all the points per hour come out about right.
don't worry, just fold.
Haha, thats a good one.
It should be my motto in life.