Code: Select all
[21:05:25] *------------------------------*
[21:05:25] Folding@Home Gromacs SMP Core
[21:05:25] Version 2.10 (Sun Aug 30 03:43:28 CEST 2009)
[21:05:25]
[21:05:25] Preparing to commence simulation
[21:05:25] - Ensuring status. Please wait.
[21:05:26] Called DecompressByteArray: compressed_data_size=4833457 data_size=23977245, decompressed_data_size=23977245 diff=0
[21:05:27] - Digital signature verified
[21:05:27]
[21:05:27] Project: 2669 (Run 16, Clone 122, Gen 146)
[21:05:27]
[21:05:27] Assembly optimizations on if available.
[21:05:27] Entering M.D.
[21:05:36] n 16, Clone 122, Gen 146)
[21:05:36]
[21:05:36] Entering M.D.
NNODES=4, MYRANK=3, HOSTNAME=rhel4n24.lab1.com
NNODES=4, MYRANK=1, HOSTNAME=rhel4n24.lab1.com
NNODES=4, MYRANK=2, HOSTNAME=rhel4n24.lab1.com
NNODES=4, MYRANK=0, HOSTNAME=rhel4n24.lab1.com
NODEID=0 argc=20
NODEID=1 argc=20
NODEID=2 argc=20
NODEID=3 argc=20
Reading file work/wudata_06.tpr, VERSION 3.3.99_development_20070618 (single precision)
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 '22866 system'
36750004 steps, 73500.0 ps (continuing from step 36500004, 73000.0 ps).
[21:27:45] - Autosending finished units... [November 8 21:27:45 UTC]
[21:27:45] Trying to send all finished work units
[21:27:45] + No unsent completed units remaining.
[21:27:45] - Autosend completed
[21:29:26] pleted 2500 out of 250000 steps (1%)
[21:52:52] Completed 5000 out of 250000 steps (2%)
[22:16:12] Completed 7500 out of 250000 steps (3%)
[22:38:19] Completed 10000 out of 250000 steps (4%)
[22:59:34] Completed 12500 out of 250000 steps (5%)
[23:21:53] Completed 15000 out of 250000 steps (6%)
[23:45:20] Completed 17500 out of 250000 steps (7%)
[00:08:48] Completed 20000 out of 250000 steps (8%)
[00:32:08] Completed 22500 out of 250000 steps (9%)
[00:54:06] Completed 25000 out of 250000 steps (10%)
[01:17:39] Completed 27500 out of 250000 steps (11%)
[01:41:17] Completed 30000 out of 250000 steps (12%)
[02:03:19] Completed 32500 out of 250000 steps (13%)
[02:24:55] Completed 35000 out of 250000 steps (14%)
[02:47:09] Completed 37500 out of 250000 steps (15%)
[03:10:20] Completed 40000 out of 250000 steps (16%)
[03:27:34] - Autosending finished units... [November 9 03:27:34 UTC]
[03:27:34] Trying to send all finished work units
[03:27:34] + No unsent completed units remaining.
[03:27:34] - Autosend completed
[03:31:43] Completed 42500 out of 250000 steps (17%)
[03:54:03] Completed 45000 out of 250000 steps (18%)
[04:15:44] Completed 47500 out of 250000 steps (19%)
[04:36:53] Completed 50000 out of 250000 steps (20%)
[04:58:09] Completed 52500 out of 250000 steps (21%)
[05:21:49] Completed 55000 out of 250000 steps (22%)
[05:44:39] Completed 57500 out of 250000 steps (23%)
[06:08:14] Completed 60000 out of 250000 steps (24%)
[06:31:58] Completed 62500 out of 250000 steps (25%)
[06:55:18] Completed 65000 out of 250000 steps (26%)
[07:18:45] Completed 67500 out of 250000 steps (27%)
[07:41:09] Completed 70000 out of 250000 steps (28%)
[08:02:21] Completed 72500 out of 250000 steps (29%)
[08:23:49] Completed 75000 out of 250000 steps (30%)
[08:44:59] Completed 77500 out of 250000 steps (31%)
[09:06:09] Completed 80000 out of 250000 steps (32%)
[09:27:22] - Autosending finished units... [November 9 09:27:22 UTC]
[09:27:22] Trying to send all finished work units
[09:27:22] + No unsent completed units remaining.
[09:27:22] - Autosend completed
[09:27:35] Completed 82500 out of 250000 steps (33%)
[09:48:45] Completed 85000 out of 250000 steps (34%)
[10:09:55] Completed 87500 out of 250000 steps (35%)
[10:31:25] Completed 90000 out of 250000 steps (36%)
[10:52:35] Completed 92500 out of 250000 steps (37%)
[11:13:46] Completed 95000 out of 250000 steps (38%)
[11:35:26] Completed 97500 out of 250000 steps (39%)
[11:58:42] Completed 100000 out of 250000 steps (40%)
[12:22:13] Completed 102500 out of 250000 steps (41%)
[12:45:30] Completed 105000 out of 250000 steps (42%)
[13:08:50] Completed 107500 out of 250000 steps (43%)
[13:32:17] Completed 110000 out of 250000 steps (44%)
[13:55:43] Completed 112500 out of 250000 steps (45%)
[14:19:24] Completed 115000 out of 250000 steps (46%)
[14:41:52] Completed 117500 out of 250000 steps (47%)
[15:05:04] Completed 120000 out of 250000 steps (48%)
[15:27:10] - Autosending finished units... [November 9 15:27:10 UTC]
[15:27:10] Trying to send all finished work units
[15:27:10] + No unsent completed units remaining.
[15:27:10] - Autosend completed
[15:28:40] Completed 122500 out of 250000 steps (49%)
[15:52:14] Completed 125000 out of 250000 steps (50%)
[16:15:53] Completed 127500 out of 250000 steps (51%)
[16:39:22] Completed 130000 out of 250000 steps (52%)
[17:02:57] Completed 132500 out of 250000 steps (53%)
[17:26:00] Completed 135000 out of 250000 steps (54%)
[17:48:15] Completed 137500 out of 250000 steps (55%)
[18:11:26] Completed 140000 out of 250000 steps (56%)
[18:34:20] Completed 142500 out of 250000 steps (57%)
[18:57:46] Completed 145000 out of 250000 steps (58%)
[19:20:58] Completed 147500 out of 250000 steps (59%)
[19:44:26] Completed 150000 out of 250000 steps (60%)
[20:07:49] Completed 152500 out of 250000 steps (61%)
[20:31:26] Completed 155000 out of 250000 steps (62%)
[20:54:53] Completed 157500 out of 250000 steps (63%)
[21:18:11] Completed 160000 out of 250000 steps (64%)
[21:26:59] - Autosending finished units... [November 9 21:26:59 UTC]
[21:26:59] Trying to send all finished work units
[21:26:59] + No unsent completed units remaining.
[21:26:59] - Autosend completed
[21:39:57] Completed 162500 out of 250000 steps (65%)
[22:01:06] Completed 165000 out of 250000 steps (66%)
[22:24:08] Completed 167500 out of 250000 steps (67%)
[22:45:20] Completed 170000 out of 250000 steps (68%)
[23:06:30] Completed 172500 out of 250000 steps (69%)
[23:29:23] Completed 175000 out of 250000 steps (70%)
[23:52:37] Completed 177500 out of 250000 steps (71%)
[00:16:01] Completed 180000 out of 250000 steps (72%)
[00:39:32] Completed 182500 out of 250000 steps (73%)
[01:01:31] Completed 185000 out of 250000 steps (74%)
[01:22:54] Completed 187500 out of 250000 steps (75%)
[01:44:32] Completed 190000 out of 250000 steps (76%)
[02:05:41] Completed 192500 out of 250000 steps (77%)
[02:28:24] Completed 195000 out of 250000 steps (78%)
[02:51:56] Completed 197500 out of 250000 steps (79%)
[03:15:31] Completed 200000 out of 250000 steps (80%)
[03:26:48] - Autosending finished units... [November 10 03:26:48 UTC]
[03:26:48] Trying to send all finished work units
[03:26:48] + No unsent completed units remaining.
[03:26:48] - Autosend completed
[03:38:30] Completed 202500 out of 250000 steps (81%)
[03:59:46] Completed 205000 out of 250000 steps (82%)
[04:22:22] Completed 207500 out of 250000 steps (83%)
[04:44:15] Completed 210000 out of 250000 steps (84%)
[05:06:41] Completed 212500 out of 250000 steps (85%)
Step 36712800, time 73425.6 (ps) LINCS WARNING
relative constraint deviation after LINCS:
rms 0.031791, max 1.534106 (between atoms 12371 and 12372)
bonds that rotated more than 90 degrees:
atom 1 atom 2 angle previous, current, constraint length
Step 36712801, time 73425.6 (ps) LINCS WARNING
relative constraint deviation after LINCS:
rms 963.086120, max 43853.445312 (between atoms 12374 and 12376)
bonds that rotated more than 90 degrees:
atom 1 atom 2 angle previous, current, constraint length
12380 12381 90.2 0.1090 4487.8159 0.1090
12371 12372 90.0 0.2762 54.5968 0.1090
12374 12375 91.6 0.1085 99.8568 0.1090
12374 12376 90.2 0.2466 4780.1343 0.1090
[05:09:28]
[05:09:28] Folding@home Core Shutdown: INTERRUPTED
application called MPI_Abort(MPI_COMM_WORLD, 102) - process 0
[09:26:44] - Autosending finished units... [November 10 09:26:44 UTC]
