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[21:04:33]
[21:04:33] *------------------------------*
[21:04:33] Folding@Home Gromacs SMP Core
[21:04:33] Version 2.07 (Sun Apr 19 14:51:09 PDT 2009)
[21:04:33]
[21:04:33] Preparing to commence simulation
[21:04:33] - Ensuring status. Please wait.
[21:04:34] Called DecompressByteArray: compressed_data_size=4838061 data_size=24026141, decompressed_data_size=24026141 diff=0
[21:04:34] - Digital signature verified
[21:04:34]
[21:04:34] Project: 2677 (Run 31, Clone 3, Gen 9)
[21:04:34]
[21:04:35] Assembly optimizations on if available.
[21:04:35] Entering M.D.
[21:04:44] (Run 31, Clone 3, Gen 9)
[21:04:44]
[21:04:44] Entering M.D.
NNODES=4, MYRANK=1, HOSTNAME=computenode
NNODES=4, MYRANK=0, HOSTNAME=computenode
NNODES=4, MYRANK=3, HOSTNAME=computenode
NNODES=4, MYRANK=2, HOSTNAME=computenode
NODEID=0 argc=20
NODEID=1 argc=20
:-) G R O M A C S (-:
Groningen Machine for Chemical Simulation
:-) VERSION 4.0.99_development_20090307 (-:
Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
Copyright (c) 1991-2000, University of Groningen, The Netherlands.
Copyright (c) 2001-2008, The GROMACS development team,
check out http://www.gromacs.org for more information.
:-) mdrun (-:
NODEID=3 argc=20
NODEID=2 argc=20
Reading file work/wudata_04.tpr, VERSION 3.3.99_development_20070618 (single precision)
Note: tpx file_version 48, software version 64
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 '22860 system in water'
2500000 steps, 5000.0 ps (continuing from step 2250000, 4500.0 ps).
[21:13:28] pleted 2500 out of 250000 steps (1%)
[21:22:02] Completed 5000 out of 250000 steps (2%)
[21:30:36] Completed 7500 out of 250000 steps (3%)
[21:39:10] Completed 10000 out of 250000 steps (4%)
[21:47:45] Completed 12500 out of 250000 steps (5%)
[21:56:19] Completed 15000 out of 250000 steps (6%)
[22:04:54] Completed 17500 out of 250000 steps (7%)
[22:13:28] Completed 20000 out of 250000 steps (8%)
[22:22:02] Completed 22500 out of 250000 steps (9%)
[22:30:37] Completed 25000 out of 250000 steps (10%)
[22:39:12] Completed 27500 out of 250000 steps (11%)
[22:47:46] Completed 30000 out of 250000 steps (12%)
[22:56:20] Completed 32500 out of 250000 steps (13%)
[23:04:54] Completed 35000 out of 250000 steps (14%)
[23:13:29] Completed 37500 out of 250000 steps (15%)
[23:22:03] Completed 40000 out of 250000 steps (16%)
[23:30:38] Completed 42500 out of 250000 steps (17%)
[23:39:11] Completed 45000 out of 250000 steps (18%)
[23:47:44] Completed 47500 out of 250000 steps (19%)
[23:56:18] Completed 50000 out of 250000 steps (20%)
[00:04:59] Completed 52500 out of 250000 steps (21%)
Step 2303200, time 4606.4 (ps) LINCS WARNING
relative constraint deviation after LINCS:
rms 145802636721.944641, max 11188867956736.000000 (between atoms 8219 and 8220)
bonds that rotated more than 90 degrees:
atom 1 atom 2 angle previous, current, constraint length
Step 2303200, time 4606.4 (ps) LINCS WARNING
relative constraint deviation after LINCS:
rms 68541251964970000.000000, max 2847831598085177344.000000 (between atoms 12050 and 12051)
bonds that rotated more than 90 degrees:
atom 1 atom 2 angle previous, current, constraint length
8216 8217 90.0 0.1090 42564929454080.0000 0.1090
8219 8220 90.0 0.1090 1219586555904.0000 0.1090
8207 8209 90.0 0.1090 2899886756331520.0000 0.1090
11854 11855 90.0 0.1090 3959278557724672.0000 0.1090
11854 11856 90.0 0.1090 3700534963863552.0000 0.1090
11857 11858 90.0 0.1090 29740891883175936.0000 0.1090
11859 11860 90.0 0.1090 175441562841382912.0000 0.1090
11859 11861 90.0 0.1090 118518170834173952.0000 0.1090
11859 11862 90.0 0.1090 204315545640632320.0000 0.1090
11863 11864 90.0 0.1090 13454405961515008.0000 0.1090
12062 12063 90.0 0.1090 74665678568685568.0000 0.1090
12062 1 8219 8220 90.0 0.1090 1219586555904.0000 0.1090
2064 90.0 0.1090 86736795823243264.0000 0.1090
11839 11840 90.0 0.1090 138002659540992.0000 0.1090
11842 11843 90.0 0.1090 66083746742272.0000 0.1090
12045 12046 90.0 0.1090 316405440.0000 0.1090
12054 12057 90.0 0.1090 68826.7422 0.1090
[00:07:25]
[00:07:25] Folding@home Core Shutdown: INTERRUPTED
[cli_0]: aborting job:
application called MPI_Abort(MPI_COMM_WORLD, 102) - process 0
[cli_3]: aborting job:
Fatal error in MPI_Sendrecv: Error message texts are not available
[0]0:Return code = 102
[0]1:Return code = 0, signaled with Segmentation fault
[0]2:Return code = 0, signaled with Segmentation fault
[0]3:Return code = 1
[00:07:29] CoreStatus = 66 (102)
[00:07:29] + Shutdown requested by user. Exiting.***** Got a SIGTERM signal (15)
[00:07:30] Killing all core threads
Folding@Home Client Shutdown.