Hi,
I lost an 8102 today, I copied the message below, what does it mean? How do I avoid a repeat? PPD was 560k with a 382k credit. Unit has been folding stable for 4 days.
[
Best regards, Charlie
I lost an 8102 today, I copied the message below, what does it mean? How do I avoid a repeat? PPD was 560k with a 382k credit. Unit has been folding stable for 4 days.
[
00:52:30] Completed 192500 out of 250000 steps (77%)
[01:02:14] Completed 195000 out of 250000 steps (78%)
[01:11:58] Completed 197500 out of 250000 steps (79%)
[01:21:44] Completed 200000 out of 250000 steps (80%)
Step 7700434, time 30801.7 (ps) LINCS WARNING
relative constraint deviation after LINCS:
rms 15535.776003, max 541260.562500 (between atoms 163348 and 163347)
bonds that rotated more than 90 degrees:
atom 1 atom 2 angle previous, current, constraint length
163353 163352 90.0 0.1530 129.6753 0.1530
163339 163338 94.5 0.1530 0.9781 0.1530
163340 163339 92.0 0.1430 5.1608 0.1430
163341 163340 125.8 0.1610 22.3396 0.1610
163344 163341 91.0 0.1610 694.3965 0.1610
163345 163344 90.0 0.1430 3761.4143 0.1430
163370 163369 90.6 0.1530 510.2241 0.1530
163371 163370 96.5 0.1530 84.2371 0.1530
163338 163333 100.6 0.1583 0.1107 0.1583
Step 7700435:
The charge group starting at atom 163353 moved than the distance allowed by the domain decomposition (1.480467) in direction X
distance out of cell 32.483398
Old coordinates: 25.125 10.930 4.468
New coordinates: 55.460 5.451 7.729
Old cell boundaries in direction X: 17.619 19.830
New cell boundaries in direction X: 17.614 19.830
-------------------------------------------------------
Program Gromacs, VERSION 4.5.3
Source code file: /vspm58/VM/fah-converted/mnt/fah_windows_build/LinuxBuilds/gromacs-4.5.3/src/mdlib/domdec.c, line: 4117
Fatal error:
A charge group moved too far between two domain decomposition steps
This usually means that your system is not well equilibrated
For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors
-------------------------------------------------------
Thanx for Using GROMACS - Have a Nice Day
[01:23:25] mdrun returned 255
[01:23:25] Going to send back what have done -- stepsTotalG=250000
[01:23:25] Work fraction=37.4188 steps=250000.
[01:23:29] logfile size=149586 infoLength=149586 edr=25 trr=1
[01:23:29] logfile size: 149586 info=149586 bed=25 hdr=1
[01:23:29] - Writing 150124 bytes of core data to disk...
[01:23:29] Done: 149612 -> 16141 (compressed to 10.7 percent)
[01:23:29] ... Done.
[01:23:34]
[01:23:34] Folding@home Core Shutdown: UNSTABLE_MACHINE
[01:23:35] CoreStatus = 7A (122)
[01:23:35] Sending work to server
[01:23:35] Project: 8102 (Run 0, Clone 9, Gen 30)
[01:23:35] + Attempting to send results [September 2 01:23:35 UTC]
[01:23:35] - Reading file work/wuresults_01.dat from core
[01:23:35] (Read 16653 bytes from disk)
[01:23:35] Connecting to http://128.143.231.201:8080/
[01:23:35] Posted data.
[01:23:35] Initial: 0000; Conversation time very short, giving reduced weight in bandwidth avg
[01:23:35] - Uploaded at ~34 kB/s
[01:23:35] - Averaged speed for that direction ~367 kB/s
[01:23:35] + Results successfully sent
Best regards, Charlie