[10:38:29] Folding@Home Gromacs SMP Core
[10:38:29] Version 2.27 (Thu Feb 10 09:46:40 PST 2011)
[10:38:29]
[10:38:29] Preparing to commence simulation
[10:38:29] - Assembly optimizations manually forced on.
[10:38:29] - Not checking prior termination.
[10:38:36] - Expanded 57239090 -> 71846524 (decompressed 50.4 percent)
[10:38:36] Called DecompressByteArray: compressed_data_size=57239090 data_size=71846524, decompressed_data_size=71846524 diff=0
[10:38:36] - Digital signature verified
[10:38:36]
[10:38:36] Project: 6903 (Run 4, Clone 19, Gen 38)
[10:38:36]
[10:38:36] Assembly optimizations on if available.
[10:38:36] Entering M.D.
G R O M A C S (-:
Groningen Machine for Chemical Simulation
VERSION 4.5.3 (-:
Written by Emile Apol, Rossen Apostolov, Herman J.C. Berendsen,
Aldert van Buuren, Pär Bjelkmar, Rudi van Drunen, Anton Feenstra,
Gerrit Groenhof, Peter Kasson, Per Larsson, Pieter Meulenhoff,
Teemu Murtola, Szilard Pall, Sander Pronk, Roland Schulz,
Michael Shirts, Alfons Sijbers, Peter Tieleman,
Berk Hess, David van der Spoel, and Erik Lindahl.
Copyright (c) 1991-2000, University of Groningen, The Netherlands.
Copyright (c) 2001-2010, The GROMACS development team at
Uppsala University & The Royal Institute of Technology, Sweden.
check out
http://www.gromacs.org for more information.
Gromacs (-:
Reading file work/wudata_06.tpr, VERSION 4.5.4-dev-20110530-cc815 (single precision)
[10:38:45] Mapping NT from 48 to 48
Starting 48 threads
Making 2D domain decomposition 8 x 6 x 1
starting mdrun 'Overlay'
9750000 steps, 39000.0 ps (continuing from step 9500000, 38000.0 ps).
[10:38:50] Completed 0 out of 250000 steps (0%)
[10:52:36] Completed 2500 out of 250000 steps (1%)
G R O M A C S (-:
Groningen Machine for Chemical Simulation
VERSION 4.5.3 (-:
Written by Emile Apol, Rossen Apostolov, Herman J.C. Berendsen,
Aldert van Buuren, Pär Bjelkmar, Rudi van Drunen, Anton Feenstra,
Gerrit Groenhof, Peter Kasson, Per Larsson, Pieter Meulenhoff,
Teemu Murtola, Szilard Pall, Sander Pronk, Roland Schulz,
Michael Shirts, Alfons Sijbers, Peter Tieleman,
Berk Hess, David van der Spoel, and Erik Lindahl.
Copyright (c) 1991-2000, University of Groningen, The Netherlands.
Copyright (c) 2001-2010, The GROMACS development team at
Uppsala University & The Royal Institute of Technology, Sweden.
check out
http://www.gromacs.org for more information.
Gromacs (-:
Reading file work/wudata_06.tpr, VERSION 4.5.4-dev-20110530-cc815 (single precision)
Starting 48 threads
Reading checkpoint file work/wudata_06.cpt generated: Sat Mar 17 04:53:52 2012
Making 2D domain decomposition 8 x 6 x 1
starting mdrun 'Overlay'
9750000 steps, 39000.0 ps (continuing from step 9502730, 38010.9 ps).
[10:56:33] int
[10:57:28] Verified work/wudata_06.log
[10:57:29] Verified work/wudata_06.trr
[10:57:29] Verified work/wudata_06.xtc
[10:57:29] Verified work/wudata_06.edr
[10:57:30] Completed 2730 out of 250000 steps (1%)
NOTE: Turning on dynamic load balancing
[11:09:18] Completed 5000 out of 250000 steps (2%)
[11:22:24] Completed 7500 out of 250000 steps (3%)