3052 Run8 clone 51 Gen 19 9660 P3029_SMP-emsv-03
Code: Select all
[10:21:45] - Preparing to get new work unit...
[10:21:45] + Attempting to get work packet
[10:21:45] - Will indicate memory of 2013 MB
[10:21:45] - Connecting to assignment server
[10:21:45] Connecting to http://assign.stanford.edu:8080/
[10:21:45] Posted data.
[10:21:45] Initial: 40AB; - Successful: assigned to (171.64.65.63).
[10:21:45] + News From Folding@Home: Welcome to Folding@Home
[10:21:45] Loaded queue successfully.
[10:21:45] Connecting to http://171.64.65.63:8080/
[10:21:45] Posted data.
[10:21:45] Initial: 0000; - Receiving payload (expected size: 282795)
[10:21:47] - Downloaded at ~138 kB/s
[10:21:47] - Averaged speed for that direction ~156 kB/s
[10:21:47] + Received work.
[10:21:47] Trying to send all finished work units
[10:21:47] + No unsent completed units remaining.
[10:21:47] + Closed connections
[10:21:47]
[10:21:47] + Processing work unit
[10:21:47] Core required: FahCore_a1.exe
[10:21:47] Core found.
[10:21:47] Working on Unit 02 [April 3 10:21:47]
[10:21:47] + Working ...
[10:21:47] - Calling './mpiexec -np 4 -host 127.0.0.1 ./FahCore_a1.exe -dir work/ -suffix 02 -priority 96 -checkpoint 15 -verbose -lifeline 31306 -version 601'
[10:21:47]
[10:21:47] *------------------------------*
[10:21:47] Folding@Home Gromacs SMP Core
[10:21:47] Version 1.74 (November 27, 2006)
[10:21:47]
[10:21:47] Preparing to commence simulation
[10:21:47] - Ensuring status. Please wait.
[10:21:47] - Starting from initial work packet
[10:21:47]
[10:21:47] Project: 3052 (Run 8, Clone 41, Gen 19)
[10:21:47]
[10:21:47] Assembly optimizations on if available.
[10:21:47] Entering M.D.
[10:22:04] ial work pa- Sta
[10:22:04] Project: 3052 (Run 8, Clone 41
[10:22:04] Project: 3Entering M.D.
[10:22:04] one 41, Gen 19)
[10:22:04]
[10:22:04] Entering M.D.
NNODES=4, MYRANK=0, HOSTNAME=localhost.localdomain
NNODES=4, MYRANK=1, HOSTNAME=localhost.localdomain
NNODES=4, MYRANK=2, HOSTNAME=localhost.localdomain
NNODES=4, MYRANK=3, HOSTNAME=localhost.localdomain
NODEID=3 argc=15
NODEID=2 argc=15
NODEID=0 argc=15
NODEID=1 argc=15
Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
Copyright (c) 1991-2000, University of Groningen, The Netherlands.
Copyright (c) 2001-2004, The GROMACS development team,
check out http://www.gromacs.org for more information.
This inclusion of Gromacs code in the Folding@Home Core is under
a special license (see http://folding.stanford.edu/gromacs.html)
specially granted to Stanford by the copyright holders. If you
are interested in using Gromacs, visit http://www.gromacs.org where
you can download a free version of Gromacs under
the terms of the GNU General Public License (GPL) as published
by the Free Software Foundation; either version 2 of the License,
or (at your option) any later version.
starting mdrun '9660 p3029_SMP-emsv-03'
10000000 steps, 20000.0 ps.
[10:22:11] cal files
[10:22:11] Completed 0 out of 10000000 steps (0 percent)
[10:22:11] SSE boost OK.
[10:37:11] int triggered.
[10:38:15] Writing local files
[10:38:15] Completed 100000 out of 10000000 steps (1 percent)
[10:53:15] Timered checkpoint triggered.
[10:54:20] Writing local files
[10:54:20] Completed 200000 out of 10000000 steps (2 percent)
[11:09:20] Timered checkpoint triggered.
[11:10:28] Writing local files
[11:10:28] Completed 300000 out of 10000000 steps (3 percent)
[11:25:29] Timered checkpoint triggered.
[11:26:36] Writing local files
[11:26:36] Completed 400000 out of 10000000 steps (4 percent)
[11:41:36] Timered checkpoint triggered.
[11:42:45] Writing local files
[11:42:45] Completed 500000 out of 10000000 steps (5 percent)
[11:57:22] - Autosending finished units...
[11:57:22] Trying to send all finished work units
[11:57:22] + No unsent completed units remaining.
[11:57:22] - Autosend completed
[11:57:45] Timered checkpoint triggered.
[11:58:50] Writing local files
[11:58:50] Completed 600000 out of 10000000 steps (6 percent)
[12:13:50] Timered checkpoint triggered.
[12:14:58] Writing local files
[12:14:58] Completed 700000 out of 10000000 steps (7 percent)
[12:29:59] Timered checkpoint triggered.
[12:31:04] Writing local files
[12:31:04] Completed 800000 out of 10000000 steps (8 percent)
[12:46:04] Timered checkpoint triggered.
[12:47:10] Writing local files
[12:47:10] Completed 900000 out of 10000000 steps (9 percent)
[13:02:11] Timered checkpoint triggered.
[13:03:15] Writing local files
[13:03:15] Completed 1000000 out of 10000000 steps (10 percent)
[13:18:16] Timered checkpoint triggered.
[13:19:20] Writing local files
[13:19:20] Completed 1100000 out of 10000000 steps (11 percent)
[13:34:19] Timered checkpoint triggered.
[13:35:22] Writing local files
[13:35:22] Completed 1200000 out of 10000000 steps (12 percent)
[13:50:22] Timered checkpoint triggered.
[13:51:26] Writing local files
[13:51:26] Completed 1300000 out of 10000000 steps (13 percent)
[14:06:27] Timered checkpoint triggered.
[14:07:33] Writing local files
[14:07:33] Completed 1400000 out of 10000000 steps (14 percent)
[14:22:33] Timered checkpoint triggered.
[14:23:38] Writing local files
[14:23:38] Completed 1500000 out of 10000000 steps (15 percent)
[14:38:38] Timered checkpoint triggered.
[14:39:42] Writing local files
[14:39:42] Completed 1600000 out of 10000000 steps (16 percent)
[14:54:42] Timered checkpoint triggered.
[14:55:48] Writing local files
[14:55:48] Completed 1700000 out of 10000000 steps (17 percent)
[15:10:49] Timered checkpoint triggered.
[15:11:54] Writing local files
[15:11:54] Completed 1800000 out of 10000000 steps (18 percent)
[15:26:53] Timered checkpoint triggered.
[15:28:01] Writing local files
[15:28:01] Completed 1900000 out of 10000000 steps (19 percent)
[15:43:02] Timered checkpoint triggered.
[15:44:09] Writing local files
[15:44:09] Completed 2000000 out of 10000000 steps (20 percent)
[15:59:08] Timered checkpoint triggered.
[16:00:17] Writing local files
[16:00:17] Completed 2100000 out of 10000000 steps (21 percent)
[16:15:17] Timered checkpoint triggered.
[16:16:26] Writing local files
[16:16:26] Completed 2200000 out of 10000000 steps (22 percent)
[16:31:26] Timered checkpoint triggered.
[16:32:35] Writing local files
[16:32:35] Completed 2300000 out of 10000000 steps (23 percent)
[16:47:36] Timered checkpoint triggered.
[16:48:44] Writing local files
[16:48:45] Completed 2400000 out of 10000000 steps (24 percent)
[17:03:44] Timered checkpoint triggered.
[17:04:52] Writing local files
[17:04:52] Completed 2500000 out of 10000000 steps (25 percent)
[17:19:52] Timered checkpoint triggered.
[17:21:00] Writing local files
[17:21:00] Completed 2600000 out of 10000000 steps (26 percent)
[17:36:01] Timered checkpoint triggered.
[17:37:11] Writing local files
[17:37:11] Completed 2700000 out of 10000000 steps (27 percent)
[17:52:10] Timered checkpoint triggered.
[17:53:18] Writing local files
[17:53:18] Completed 2800000 out of 10000000 steps (28 percent)
[17:57:25] - Autosending finished units...
[17:57:25] Trying to send all finished work units
[17:57:25] + No unsent completed units remaining.
[17:57:25] - Autosend completed
[18:08:19] Timered checkpoint triggered.
[18:09:25] Writing local files
[18:09:25] Completed 2900000 out of 10000000 steps (29 percent)
[18:24:24] Timered checkpoint triggered.
[18:25:32] Writing local files
[18:25:32] Completed 3000000 out of 10000000 steps (30 percent)
[18:40:33] Timered checkpoint triggered.
[18:41:38] Writing local files
[18:41:38] Completed 3100000 out of 10000000 steps (31 percent)
[18:56:37] Timered checkpoint triggered.
[18:57:44] Writing local files
[18:57:44] Completed 3200000 out of 10000000 steps (32 percent)
[19:12:45] Timered checkpoint triggered.
[19:13:53] Writing local files
[19:13:53] Completed 3300000 out of 10000000 steps (33 percent)
[19:28:53] Timered checkpoint triggered.
[19:29:58] Writing local files
[19:29:58] Completed 3400000 out of 10000000 steps (34 percent)
[19:44:58] Timered checkpoint triggered.
[19:46:02] Writing local files
[19:46:02] Completed 3500000 out of 10000000 steps (35 percent)
[20:01:02] Timered checkpoint triggered.
[20:02:09] Writing local files
[20:02:09] Completed 3600000 out of 10000000 steps (36 percent)
[20:17:10] Timered checkpoint triggered.
[20:18:15] Writing local files
[20:18:15] Completed 3700000 out of 10000000 steps (37 percent)
[20:33:16] Timered checkpoint triggered.
[20:34:23] Writing local files
[20:34:23] Completed 3800000 out of 10000000 steps (38 percent)
[20:49:23] Timered checkpoint triggered.
[20:50:30] Writing local files
[20:50:30] Completed 3900000 out of 10000000 steps (39 percent)
[21:05:30] Timered checkpoint triggered.
[21:06:37] Writing local files
[21:06:37] Completed 4000000 out of 10000000 steps (40 percent)
[21:21:38] Timered checkpoint triggered.
[21:22:45] Writing local files
[21:22:45] Completed 4100000 out of 10000000 steps (41 percent)
[21:37:46] Timered checkpoint triggered.
[21:38:52] Writing local files
[21:38:52] Completed 4200000 out of 10000000 steps (42 percent)
[21:53:52] Timered checkpoint triggered.
[21:54:57] Writing local files
[21:54:57] Completed 4300000 out of 10000000 steps (43 percent)
[22:09:57] Timered checkpoint triggered.
[22:11:01] Writing local files
[22:11:01] Completed 4400000 out of 10000000 steps (44 percent)
[22:26:01] Timered checkpoint triggered.
[22:27:08] Writing local files
[22:27:08] Completed 4500000 out of 10000000 steps (45 percent)
[22:42:09] Timered checkpoint triggered.
[22:43:15] Writing local files
[22:43:15] Completed 4600000 out of 10000000 steps (46 percent)
[22:58:15] Timered checkpoint triggered.
[22:59:24] Writing local files
[22:59:24] Completed 4700000 out of 10000000 steps (47 percent)
[23:14:24] Timered checkpoint triggered.
[23:15:33] Writing local files
[23:15:33] Completed 4800000 out of 10000000 steps (48 percent)
[23:30:33] Timered checkpoint triggered.
[23:31:43] Writing local files
[23:31:43] Completed 4900000 out of 10000000 steps (49 percent)
[23:46:44] Timered checkpoint triggered.
[23:47:51] Writing local files
[23:47:51] Completed 5000000 out of 10000000 steps (50 percent)
[23:57:29] - Autosending finished units...
[23:57:29] Trying to send all finished work units
[23:57:29] + No unsent completed units remaining.
[23:57:29] - Autosend completed
[00:02:52] Timered checkpoint triggered.
[00:03:58] Writing local files
[00:03:58] Completed 5100000 out of 10000000 steps (51 percent)
[00:18:59] Timered checkpoint triggered.
[00:20:07] Writing local files
[00:20:07] Completed 5200000 out of 10000000 steps (52 percent)
[00:35:08] Timered checkpoint triggered.
[00:36:15] Writing local files
[00:36:15] Completed 5300000 out of 10000000 steps (53 percent)
[00:51:14] Timered checkpoint triggered.
[00:52:23] Writing local files
[00:52:23] Completed 5400000 out of 10000000 steps (54 percent)
[01:07:23] Timered checkpoint triggered.
[01:08:30] Writing local files
[01:08:30] Completed 5500000 out of 10000000 steps (55 percent)
[01:23:30] Timered checkpoint triggered.
[01:24:36] Writing local files
[01:24:36] Completed 5600000 out of 10000000 steps (56 percent)
[01:39:37] Timered checkpoint triggered.
[01:40:43] Writing local files
[01:40:43] Completed 5700000 out of 10000000 steps (57 percent)
[01:55:44] Timered checkpoint triggered.
[01:56:50] Writing local files
[01:56:50] Completed 5800000 out of 10000000 steps (58 percent)
[02:11:50] Timered checkpoint triggered.
[02:12:59] Writing local files
[02:12:59] Completed 5900000 out of 10000000 steps (59 percent)
[02:28:00] Timered checkpoint triggered.
[02:29:09] Writing local files
[02:29:09] Completed 6000000 out of 10000000 steps (60 percent)
[02:44:10] Timered checkpoint triggered.
[02:45:17] Writing local files
[02:45:17] Completed 6100000 out of 10000000 steps (61 percent)
[03:00:17] Timered checkpoint triggered.
[03:01:22] Writing local files
[03:01:22] Completed 6200000 out of 10000000 steps (62 percent)
[03:16:23] Timered checkpoint triggered.
[03:17:26] Writing local files
[03:17:26] Completed 6300000 out of 10000000 steps (63 percent)
[03:32:26] Timered checkpoint triggered.
[03:33:30] Writing local files
[03:33:31] Completed 6400000 out of 10000000 steps (64 percent)
[03:48:30] Timered checkpoint triggered.
[03:49:37] Writing local files
[03:49:37] Completed 6500000 out of 10000000 steps (65 percent)
[04:04:38] Timered checkpoint triggered.
[04:05:43] Writing local files
[04:05:43] Completed 6600000 out of 10000000 steps (66 percent)
[04:20:44] Timered checkpoint triggered.
[04:21:45] Writing local files
[04:21:45] Completed 6700000 out of 10000000 steps (67 percent)
[04:36:46] Timered checkpoint triggered.
[04:37:49] Writing local files
[04:37:49] Completed 6800000 out of 10000000 steps (68 percent)
[04:52:50] Timered checkpoint triggered.
[04:53:53] Writing local files
[04:53:53] Completed 6900000 out of 10000000 steps (69 percent)
[05:08:53] Timered checkpoint triggered.
[05:09:56] Writing local files
[05:09:56] Completed 7000000 out of 10000000 steps (70 percent)
[05:24:57] Timered checkpoint triggered.
[05:25:59] Writing local files
[05:25:59] Completed 7100000 out of 10000000 steps (71 percent)
[05:40:59] Timered checkpoint triggered.
[05:42:03] Writing local files
[05:42:03] Completed 7200000 out of 10000000 steps (72 percent)
[05:57:04] Timered checkpoint triggered.
[05:57:31] Writing local files
[05:57:31] Completed 7300000 out of 10000000 steps (73 percent)
[05:57:32] - Autosending finished units...
[05:57:32] Trying to send all finished work units
[05:57:32] + No unsent completed units remaining.
[05:57:32] - Autosend completed
[06:12:32] Timered checkpoint triggered.
[06:12:48] Writing local files
[06:12:48] Completed 7400000 out of 10000000 steps (74 percent)
[06:27:48] Timered checkpoint triggered.
[06:28:12] Writing local files
[06:28:12] Completed 7500000 out of 10000000 steps (75 percent)
[06:43:12] Timered checkpoint triggered.
[06:43:34] Writing local files
[06:43:34] Completed 7600000 out of 10000000 steps (76 percent)
[06:58:35] Timered checkpoint triggered.
[06:58:57] Writing local files
[06:58:57] Completed 7700000 out of 10000000 steps (77 percent)
[07:13:57] Timered checkpoint triggered.
[07:14:18] Writing local files
[07:14:18] Completed 7800000 out of 10000000 steps (78 percent)
[07:29:18] Timered checkpoint triggered.
[07:29:41] Writing local files
[07:29:41] Completed 7900000 out of 10000000 steps (79 percent)
[07:44:42] Timered checkpoint triggered.
[07:45:06] Writing local files
[07:45:06] Completed 8000000 out of 10000000 steps (80 percent)
[08:00:07] Timered checkpoint triggered.
[08:00:32] Writing local files
[08:00:32] Completed 8100000 out of 10000000 steps (81 percent)
[08:15:33] Timered checkpoint triggered.
[08:15:57] Writing local files
[08:15:57] Completed 8200000 out of 10000000 steps (82 percent)
[08:30:58] Timered checkpoint triggered.
[08:31:24] Writing local files
[08:31:24] Completed 8300000 out of 10000000 steps (83 percent)
[08:46:25] Timered checkpoint triggered.
[08:46:53] Writing local files
[08:46:53] Completed 8400000 out of 10000000 steps (84 percent)
[09:01:54] Timered checkpoint triggered.
[09:02:23] Writing local files
[09:02:23] Completed 8500000 out of 10000000 steps (85 percent)
[09:17:23] Timered checkpoint triggered.
[09:17:54] Writing local files
[09:17:54] Completed 8600000 out of 10000000 steps (86 percent)
[09:32:54] Timered checkpoint triggered.
[09:33:22] Writing local files
[09:33:22] Completed 8700000 out of 10000000 steps (87 percent)
[09:48:21] Timered checkpoint triggered.
[09:48:46] Writing local files
[09:48:46] Completed 8800000 out of 10000000 steps (88 percent)
[10:03:46] Timered checkpoint triggered.
[10:04:10] Writing local files
[10:04:10] Completed 8900000 out of 10000000 steps (89 percent)
[10:19:10] Timered checkpoint triggered.
[10:19:36] Writing local files
[10:19:36] Completed 9000000 out of 10000000 steps (90 percent)
[10:34:36] Timered checkpoint triggered.
[10:35:02] Writing local files
[10:35:02] Completed 9100000 out of 10000000 steps (91 percent)
[10:50:02] Timered checkpoint triggered.
[10:50:27] Writing local files
[10:50:27] Completed 9200000 out of 10000000 steps (92 percent)
[11:05:27] Timered checkpoint triggered.
[11:05:52] Writing local files
[11:05:52] Completed 9300000 out of 10000000 steps (93 percent)
[11:20:52] Timered checkpoint triggered.
[11:21:19] Writing local files
[11:21:19] Completed 9400000 out of 10000000 steps (94 percent)
[11:36:19] Timered checkpoint triggered.
[11:36:46] Writing local files
[11:36:46] Completed 9500000 out of 10000000 steps (95 percent)
[11:51:46] Timered checkpoint triggered.
[11:52:18] Writing local files
[11:52:18] Completed 9600000 out of 10000000 steps (96 percent)
[11:57:35] - Autosending finished units...
[11:57:35] Trying to send all finished work units
[11:57:35] + No unsent completed units remaining.
[11:57:35] - Autosend completed
[12:07:18] Timered checkpoint triggered.
[12:07:46] Writing local files
[12:07:46] Completed 9700000 out of 10000000 steps (97 percent)
[12:22:46] Timered checkpoint triggered.
[12:23:16] Writing local files
[12:23:16] Completed 9800000 out of 10000000 steps (98 percent)
[12:38:15] Timered checkpoint triggered.
[12:38:44] Writing local files
[12:38:44] Completed 9900000 out of 10000000 steps (99 percent)
[12:53:44] Timered checkpoint triggered.
[12:54:13] Writing local files
[12:54:13] Completed 10000000 out of 10000000 steps (100 percent)
M E G A - F L O P S A C C O U N T I N G
Parallel run - timing based on wallclock.
RF=Reaction-Field FE=Free Energy SCFE=Soft-Core/Free Energy
T=Tabulated W3=SPC/TIP3p W4=TIP4p (single or pairs)
NF=No Forces
Computing: M-Number M-Flops % of Flops
-----------------------------------------------------------------------
RF Coul 146457.729122 4833105.061026 1.6
RF Coul [W3] 513.482502 50321.285196 0.0
RF Coul + VdW(T) 264278.784627 17178121.000755 5.7
RF Coul + VdW(T) [W3] 71899.575020 9346944.752600 3.1
RF Coul + VdW(T) [W3-W3] 714644.534686 228686251.099520 75.8
Outer nonbonded loop 291601.232103 2916012.321030 1.0
1,4 nonbonded interactions 14520.001452 1306800.130680 0.4
NS-Pairs 395933.476239 8314603.001019 2.8
Reset In Box 9664.009664 86976.086976 0.0
Shift-X 193280.019328 1159680.115968 0.4
CG-CoM 3590.003590 104110.104110 0.0
Sum Forces 289920.028992 289920.028992 0.1
Bonds 2850.000285 122550.012255 0.0
Angles 10160.001016 1656080.165608 0.5
Propers 1170.000117 267930.026793 0.1
RB-Dihedrals 11640.001164 2875080.287508 1.0
Virial 97720.009772 1758960.175896 0.6
Ext.ens. Update 96640.009664 5218560.521856 1.7
Stop-CM 9664.000000 96640.000000 0.0
Calc-Ekin 96640.019328 2609280.521856 0.9
Shake 6403.776131 192113.283930 0.1
Constraint-V 96640.009664 579840.057984 0.2
Shake-Init 2780.000278 27800.002780 0.0
Constraint-Vir 93860.009386 2252640.225264 0.7
Settle 30360.003036 9806280.980628 3.2
-----------------------------------------------------------------------
Total 301736601.250230 100.0
-----------------------------------------------------------------------
NODE (s) Real (s) (%)
Time: 95523.000 95523.000 100.0
1d02h32:03
(Mnbf/s) (GFlops) (ns/day) (hour/ns)
Performance: 12.539 3.159 18.090 1.327
[12:54:13] Writing final coordinates.
[12:54:13] Past main M.D. loop
[12:54:13] Will end MPI now
[12:55:13]
[12:55:13] Finished Work Unit:
[12:55:13] - Reading up to 232056 from "work/wudata_02.arc": Read 232056
[12:55:13] - Reading up to 13734064 from "work/wudata_02.xtc": Read 13734064
[12:55:14] goefile size: 0
[12:55:14] logfile size: 257328
[12:55:14] Leaving Run
[12:55:16] - Writing 14622812 bytes of core data to disk...
[12:55:16] ... Done.
[12:55:17] - Shutting down core
[12:55:17]
[12:55:17] Folding@home Core Shutdown: FINISHED_UNIT
[17:57:39] - Autosending finished units...
[17:57:39] Trying to send all finished work units
[17:57:39] + No unsent completed units remaining.
[17:57:39] - Autosend completed
its now 22:28:47 and no connect to server, no upload, no results successfully sent . nada