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NODEID=0 argc=22
:-) G R O M A C S (-:
Groningen Machine for Chemical Simulation
:-) VERSION 4.0.99_development_20090425 (-:
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=1 argc=22
Reading file work/wudata_08.tpr, VERSION 3.3.99_development_20070618 (single precision)
NODEID=2 argc=22
NODEID=3 argc=22
Note: tpx file_version 48, software version 65
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 '22878 system in water'
40000004 steps, 80000.0 ps (continuing from step 39750004, 79500.0 ps).
t = 79500.012 ps: Water molecule starting at atom 132199 can not be settled.
Check for bad contacts and/or reduce the timestep.
t = 79500.012 ps: Water molecule starting at atom 60856 can not be settled.
Check for bad contacts and/or reduce the timestep.
[09:08:23] Completed 0 out of 250000 steps (0%)
[09:08:23]
[09:08:23] 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
[09:08:28] CoreStatus = 66 (102)
[09:08:28] + Shutdown requested by user. Exiting.***** Got a SIGTERM signal (15)[09:08:28] Killing all core threads
Folding@Home Client Shutdown.
