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[23:40:59]
[23:40:59] *------------------------------*
[23:40:59] Folding@Home Gromacs SMP Core
[23:40:59] Version 2.07 (Sun Apr 19 14:51:09 PDT 2009)
[23:40:59]
[23:40:59] Preparing to commence simulation
[23:40:59] - Ensuring status. Please wait.
[23:41:00] Called DecompressByteArray: compressed_data_size=4862076 data_size=24072629, decompressed_data_size=24072629 diff=0
[23:41:00] - Digital signature verified
[23:41:00]
[23:41:00] Project: 2676 (Run 3, Clone 134, Gen 157)
[23:41:00]
[23:41:00] Assembly optimizations on if available.
[23:41:00] Entering M.D.
[23:41:09] un 3, Clone 134, Gen 157)
[23:41:09]
[23:41:10] Entering M.D.
NNODES=8, MYRANK=1, HOSTNAME=computenode
NNODES=8, MYRANK=0, HOSTNAME=computenode
NNODES=8, MYRANK=2, HOSTNAME=computenode
NNODES=8, MYRANK=3, HOSTNAME=computenode
NNODES=8, MYRANK=6, HOSTNAME=computenode
NNODES=8, MYRANK=7, HOSTNAME=computenode
NNODES=8, MYRANK=5, HOSTNAME=computenode
NNODES=8, MYRANK=4, HOSTNAME=computenode
NODEID=0 argc=20
NODEID=1 argc=20
NODEID=2 argc=20
NODEID=3 argc=20
:-) G R O M A C S (-:
NODEID=6 argc=20
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=7 argc=20
Reading file work/wudata_05.tpr, VERSION 3.3.99_development_20070618 (single precision)
NODEID=4 argc=20
NODEID=5 argc=20
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 3D domain decomposition 2 x 2 x 2
starting mdrun '23133 system in water'
39500004 steps, 79000.0 ps (continuing from step 39250004, 78500.0 ps).
[23:45:47] pleted 2500 out of 250000 steps (1%)
[23:50:15] Completed 5000 out of 250000 steps (2%)
[23:54:44] Completed 7500 out of 250000 steps (3%)
[23:59:13] Completed 10000 out of 250000 steps (4%)
[00:03:42] Completed 12500 out of 250000 steps (5%)
[00:08:11] Completed 15000 out of 250000 steps (6%)
[00:12:40] Completed 17500 out of 250000 steps (7%)
[00:17:09] Completed 20000 out of 250000 steps (8%)
[00:21:38] Completed 22500 out of 250000 steps (9%)
[00:26:10] Completed 25000 out of 250000 steps (10%)
[00:30:43] Completed 27500 out of 250000 steps (11%)
[00:35:16] Completed 30000 out of 250000 steps (12%)
[00:39:49] Completed 32500 out of 250000 steps (13%)
[00:44:21] Completed 35000 out of 250000 steps (14%)
[00:48:53] Completed 37500 out of 250000 steps (15%)
[00:53:24] Completed 40000 out of 250000 steps (16%)
[00:57:56] Completed 42500 out of 250000 steps (17%)
[01:02:29] Completed 45000 out of 250000 steps (18%)
[01:07:02] Completed 47500 out of 250000 steps (19%)
[01:11:33] Completed 50000 out of 250000 steps (20%)
[01:16:06] Completed 52500 out of 250000 steps (21%)
[01:20:40] Completed 55000 out of 250000 steps (22%)
[01:25:12] Completed 57500 out of 250000 steps (23%)
[01:29:46] Completed 60000 out of 250000 steps (24%)
[01:34:18] Completed 62500 out of 250000 steps (25%)
[01:38:50] Completed 65000 out of 250000 steps (26%)
[01:43:23] Completed 67500 out of 250000 steps (27%)
-------------------------------------------------------
Program mdrun, VERSION 4.0.99_development_20090307
Source code file: nsgrid.c, line: 357
Range checking error:
Explanation: During neighborsearching, we assign each particle to a grid
based on its coordinates. If your system contains collisions or parameter
errors that give particles very high velocities you might end up with some
coordinates being +-Infinity or NaN (not-a-number). Obviously, we cannot
put these on a grid, so this is usually where we detect those errors.
Make sure your system is properly energy-minimized and that the potential
energy seems reasonable before trying again.
Variable ci has value -2147483479. It should have been within [ 0 .. 1694 ]
For more information and tips for trouble shooting please check the GROMACS Wiki at
http://wiki.gromacs.org/index.php/Errors
-------------------------------------------------------
Thanx for Using GROMACS - Have a Nice Day
Error on node 7, will try to stop all the nodes
Halting parallel pro
-------------------------------------------------------
Program mdrun, VERSION 4.0.99_development_20090307
Source code file: nsgrid.c, line: 357
Range checking error:
Explanation: During neighborsearching, we assign each particle to a grid
based on its coordinates. If your system contains collisions or parameter
errors that give particles very high velocities you might end up with some
coordinates being +-Infinity or NaN (not-a-number). Obviously, we cannot
put these on a grid, so this is usually where we detect those errors.
Make sure your system is properly energy-minimized and that the potential
energy seems reasonable before trying again.
Variable ci has value -2147483477. It should have been within [ 0 .. 1530 ]
For more information and tips for trouble shooting please check the GROMACS Wiki at
http://wiki.gromacs.org/index.php/Errors
-------------------------------------------------------
Thanx for Using GROMACS - Have a Nice Day
Error on node 0, will try to stop all the nodes
Halting parallel pro
-------------------------------------------------------
Program mdrun, VERSION 4.0.99_development_20090307
Source code file: nsgrid.c, line: 357
Range checking error:
Explanation: During neighborsearching, we assign each particle to a grid
based on its coordinates. If your system contains collisions or parameter
errors that give particles very high velocities you might end up with some
coordinates being +-Infinity or NaN (not-a-number). Obviously, we cannot
put these on a grid, so this is usually where we detect those errors.
Make sure your system is properly energy-minimized and that the potential
energy seems reasonable before trying again.
Variable ci has value -2147483491. It should have been within [ 0 .. 1573 ]
For more information and tips for trouble shooting please check the GROMACS Wiki at
http://wiki.gromacs.org/index.php/Errors
-------------------------------------------------------
Thanx for Using GROMACS - Have a Nice Day
Error on node 3, will try to stop all the nodes
Halting parallel program mdrun on CPU 7 out of 8
gcq#0: Thanx for Using GROMACS - Have a Nice Day
[cli_7]: aborting job:
application called MPI_Abort(MPI_COMM_WORLD, -1) - process 7
gram mdrun on CPU 0 out of 8
gcq#0: Thanx for Using GROMACS - Have a Nice Day
[cli_0]: aborting job:
application called MPI_Abort(MPI_COMM_WORLD, -1) - process 0
gram mdrun on CPU 3 out of 8
gcq#0: Thanx for Using GROMACS - Have a Nice Day
[cli_3]: aborting job:
application called MPI_Abort(MPI_COMM_WORLD, -1) - process 3