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[16:48:20] Version 2.10 (Sun Aug 30 03:43:28 CEST 2009)
[16:48:20]
[16:48:20] Preparing to commence simulation
[16:48:20] - Ensuring status. Please wait.
[16:48:21] Called DecompressByteArray: compressed_data_size=4837383 data_size=24038321, decompressed_data_size=24038321 diff=0
[16:48:21] - Digital signature verified
[16:48:21]
[16:48:21] Project: 2671 (Run 11, Clone 20, Gen 110)
[16:48:21]
[16:48:21] Assembly optimizations on if available.
[16:48:21] Entering M.D.
[16:48:30] un 11, Clone 20, Gen 110)
[16:48:30]
[16:48:30] Entering M.D.
NNODES=4, MYRANK=0, HOSTNAME=challenger
NNODES=4, MYRANK=2, HOSTNAME=challenger
NNODES=4, MYRANK=3, HOSTNAME=challenger
NNODES=4, MYRANK=1, HOSTNAME=challenger
NODEID=0 argc=20
NODEID=2 argc=20
NODEID=3 argc=20
Reading file work/wudata_05.tpr, VERSION 3.3.99_development_20070618 (single precision)
NODEID=1 argc=20
Note: tpx file_version 48, software version 68
NOTE: The tpr file used for this simulation is in an old format, for less memory usage and possibly more performance create a new tpr file with an up to date version of grompp
Making 1D domain decomposition 1 x 1 x 4
starting mdrun '22884 system in water'
27750000 steps, 55500.0 ps (continuing from step 27500000, 55000.0 ps).
[16:55:18] pleted 2500 out of 250000 steps (1%)
[17:02:08] Completed 5000 out of 250000 steps (2%)
[17:09:00] Completed 7500 out of 250000 steps (3%)
[17:15:51] Completed 10000 out of 250000 steps (4%)
[17:22:42] Completed 12500 out of 250000 steps (5%)
[17:29:31] Completed 15000 out of 250000 steps (6%)
[17:36:20] Completed 17500 out of 250000 steps (7%)
[17:43:08] Completed 20000 out of 250000 steps (8%)
[17:49:57] Completed 22500 out of 250000 steps (9%)
[17:56:46] Completed 25000 out of 250000 steps (10%)
[18:03:41] Completed 27500 out of 250000 steps (11%)
[18:10:30] Completed 30000 out of 250000 steps (12%)
[18:17:19] Completed 32500 out of 250000 steps (13%)
[18:24:11] Completed 35000 out of 250000 steps (14%)
[18:31:00] Completed 37500 out of 250000 steps (15%)
[18:37:49] Completed 40000 out of 250000 steps (16%)
[18:38:31] - Autosending finished units... [October 13 18:38:31 UTC]
[18:38:31] Trying to send all finished work units
[18:38:31] + No unsent completed units remaining.
[18:38:31] - Autosend completed
[18:44:38] Completed 42500 out of 250000 steps (17%)
[18:51:28] Completed 45000 out of 250000 steps (18%)
[18:58:19] Completed 47500 out of 250000 steps (19%)
[19:05:06] Completed 50000 out of 250000 steps (20%)
[19:11:56] Completed 52500 out of 250000 steps (21%)
[19:18:47] Completed 55000 out of 250000 steps (22%)
[19:25:35] Completed 57500 out of 250000 steps (23%)
[19:32:24] Completed 60000 out of 250000 steps (24%)
[19:39:13] Completed 62500 out of 250000 steps (25%)
[19:46:00] Completed 65000 out of 250000 steps (26%)
[19:52:49] Completed 67500 out of 250000 steps (27%)
[19:59:39] Completed 70000 out of 250000 steps (28%)
[20:06:27] Completed 72500 out of 250000 steps (29%)
[20:13:16] Completed 75000 out of 250000 steps (30%)
[20:20:04] Completed 77500 out of 250000 steps (31%)
[20:26:53] Completed 80000 out of 250000 steps (32%)
[20:33:41] Completed 82500 out of 250000 steps (33%)
[20:40:29] Completed 85000 out of 250000 steps (34%)
Step 27585363, time 55170.7 (ps) LINCS WARNING
relative constraint deviation after LINCS:
rms 0.021639, max 0.695692 (between atoms 14721 and 14723)
bonds that rotated more than 90 degrees:
atom 1 atom 2 angle previous, current, constraint length
14718 14719 90.0 0.1090 0.1769 0.1090
Step 27585364, time 55170.7 (ps) LINCS WARNING
relative constraint deviation after LINCS:
rms 0.650036, max 26.217606 (between atoms 14718 and 14719)
bonds that rotated more than 90 degrees:
atom 1 atom 2 angle previous, current, constraint length
14724 14726 90.0 0.1090 0.8852 0.1090
Warning: 1-4 interaction between 14714 and 14719 at distance 3.287 which is larger than the 1-4 table size 2.200 nm
These are ignored for the rest of the simulation
This usually means your system is exploding,
if not, you should increase table-extension in your mdp file
or with user tables increase the table size
Step 27585365, time 55170.7 (ps) LINCS WARNING
relative constraint deviation after LINCS:
rms 97759674.686893, max 4085654784.000000 (between atoms 14718 and 14719)
bonds that rotated more than 90 degrees:
atom 1 atom 2 angle previous, current, constraint length
7647 7648 90.0 0.1090 0.4383 0.1090
14718 14720 90.0 0.1065 114448608.0000 0.1090
7629 7632 90.0 0.1010 0.5693 0.1010
7028 7029 90.0 0.1090 0.5606 0.1090
14721 14722 96.7 0.1120 26.8224 0.1090
14721 14723 90.2 0.8697 5347.6470 0.1090
14724 14726 90.0 0.8852 3.1409 0.1090
t = 55170.733 ps: Water molecule starting at atom 62842 can not be settled.
Check for bad contacts and/or reduce the timestep.
[20:41:29]
[20:41:29] Folding@home Core Shutdown: INTERRUPTED
application called MPI_Abort(MPI_COMM_WORLD, 102) - process 0
[0]0:Return code = 102
[0]1:Return code = 0, signaled with Segmentation fault
[0]2:Return code = 0, signaled with Quit
[0]3:Return code = 0, signaled with Quit
[20:41:33] CoreStatus = 66 (102)
[20:41:33] + Shutdown requested by user. Exiting.***** Got a SIGTERM signal (15)
[20:41:33] Killing all core threads
Folding@Home Client Shutdown.