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[13:31:28]
[13:31:28] *------------------------------*
[13:31:28] Folding@Home Gromacs SMP Core
[13:31:28] Version 2.07 (Sun Apr 19 14:51:09 PDT 2009)
[13:31:28]
[13:31:28] Preparing to commence simulation
[13:31:28] - Ensuring status. Please wait.
[13:31:38] - Looking at optimizations...
[13:31:38] - Working with standard loops on this execution.
[13:31:38] - Files status OK
[13:31:39] - Expanded 4833525 -> 23977273 (decompressed 496.0 percent)
[13:31:39] Called DecompressByteArray: compressed_data_size=4833525 data_size=23977273, decompressed_data_size=23977273 diff=0
[13:31:39] - Digital signature verified
[13:31:39]
[13:31:39] Project: 2669 (Run 2, Clone 192, Gen 34)
[13:31:39]
[13:31:39] Entering M.D.
NNODES=4, MYRANK=1, HOSTNAME=computenode
NNODES=4, MYRANK=2, HOSTNAME=computenode
NNODES=4, MYRANK=3, HOSTNAME=computenode
NNODES=4, MYRANK=0, HOSTNAME=computenode
NODEID=0 argc=20
NODEID=2 argc=20
NODEID=1 argc=20
NODEID=3 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 (-:
Reading file work/wudata_00.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 '22869 system'
8750001 steps, 17500.0 ps (continuing from step 8500001, 17000.0 ps).
[13:31:48] Completed 0 out of 250000 steps (0%)
[13:40:34] Completed 2500 out of 250000 steps (1%)
[13:49:15] Completed 5000 out of 250000 steps (2%)
[13:57:55] Completed 7500 out of 250000 steps (3%)
[14:06:42] Completed 10000 out of 250000 steps (4%)
[14:15:31] Completed 12500 out of 250000 steps (5%)
[14:24:17] Completed 15000 out of 250000 steps (6%)
[14:32:59] Completed 17500 out of 250000 steps (7%)
[14:41:41] Completed 20000 out of 250000 steps (8%)
[14:50:25] Completed 22500 out of 250000 steps (9%)
[14:59:09] Completed 25000 out of 250000 steps (10%)
[15:07:52] Completed 27500 out of 250000 steps (11%)
[15:16:36] Completed 30000 out of 250000 steps (12%)
[15:25:20] Completed 32500 out of 250000 steps (13%)
[15:34:04] Completed 35000 out of 250000 steps (14%)
[15:42:49] Completed 37500 out of 250000 steps (15%)
[15:51:34] Completed 40000 out of 250000 steps (16%)
[16:00:20] Completed 42500 out of 250000 steps (17%)
[16:09:08] Completed 45000 out of 250000 steps (18%)
[16:17:57] Completed 47500 out of 250000 steps (19%)
[16:26:47] Completed 50000 out of 250000 steps (20%)
[16:35:36] Completed 52500 out of 250000 steps (21%)
t = 17105.401 ps: Water molecule starting at atom 52261 can not be settled.
Check for bad contacts and/or reduce the timestep.
[16:36:18]
[16:36:18] 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
[16:36:23] CoreStatus = 66 (102)
[16:36:23] + Shutdown requested by user. Exiting.***** Got a SIGTERM signal (15)
[16:36:23] Killing all core threads
Folding@Home Client Shutdown.