Page 1 of 1
Project 1487 > 100%
Posted: Thu Dec 27, 2007 11:51 am
by Peter Potrowl
Hello !
I'm folding a p1487 and the computer completed more than 100% of the calculation
:
Code: Select all
No option -tpi
(single precision)
starting mdrun 'p1487_DPPC_DOPC_CHOL'
2500000 steps, 5000.0 ps.
[11:45:06] (Starting from checkpoint)
[11:45:06] Protein: p1487_DPPC_DOPC_CHOL
[11:45:06] Writing local files
[11:45:06] Completed 2501868 out of 2500000 steps (100%)
[11:45:07] Extra SSE boost OK.
[11:45:08] Warning: long 1-4 interactions
Is that normal ? Will the calculation finish ?
Re: Project 1487 > 100%
Posted: Thu Dec 27, 2007 12:31 pm
by gwildperson
It's a known bug in that version of GROMACS33.
Gen 0 starts at 0% and goes to 100%. Gen 1 starts at 100% and goes to 200%. Gen 2 starts at 200% and goes to 300%.
Re: Project 1487 > 100%
Posted: Thu Dec 27, 2007 1:12 pm
by toTOW
You can force a core update BEFORE the WU passes 100%, this bug has been fixed, but it doesn't update automatically.
Re: Project 1487 > 100%
Posted: Thu Dec 27, 2007 1:53 pm
by Peter Potrowl
Gen 0 starts at 0% and goes to 100%. Gen 1 starts at 100% and goes to 200%. Gen 2 starts at 200% and goes to 300%.
Well, here, it's Gen 14 and it started at 0%. It has run for 25 days to reach 100%.
Code: Select all
[11:35:33] *------------------------------*
[11:35:33] Folding@Home Gromacs 3.3 Core
[11:35:33] Version 1.71 (February 3, 2006)
[11:35:33]
[11:35:33] Preparing to commence simulation
[11:35:33] - Assembly optimizations manually forced on.
[11:35:33] - Not checking prior termination.
[11:35:34] - Expanded 3600861 -> 17225131 (decompressed 478.3 percent)
[11:35:34]
[11:35:34] Project: 1487 (Run 0, Clone 512, Gen 14)
[11:35:34]
[11:35:34] Assembly optimizations on if available.
[11:35:34] Entering M.D.
Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
Copyright (c) 1991-2000, University of Groningen, The Netherlands.
Copyright (c) 2001-2004, The GROMACS development team,
check out http://www.gromacs.org for more information.
This inclusion of Gromacs code in the Folding@Home Core is under
a special license (see http://folding.stanford.edu/gromacs.html)
specially granted to Stanford by the copyright holders. If you
are interested in using Gromacs, visit www.gromacs.org where
you can download a free version of Gromacs under
the terms of the GNU General Public License (GPL) as published
by the Free Software Foundation; either version 2 of the License,
or (at your option) any later version.
No option -tpi
(single precision)
starting mdrun 'p1487_DPPC_DOPC_CHOL'
2500000 steps, 5000.0 ps.
[11:35:57] (Starting from checkpoint)
[11:35:57] Protein: p1487_DPPC_DOPC_CHOL
[11:35:57] Writing local files
[11:35:57] Completed 2501243 out of 2500000 steps (100%)
[11:35:58] Extra SSE boost OK.
[11:35:58] Warning: long 1-4 interactions
I deleted FahCore_a0.exe. It was downloaded again and I received the lines :
Code: Select all
[13:44:13] Protein: p1487_DPPC_DOPC_CHOL
[13:44:13] Writing local files
[13:44:13] Completed 2516603 out of 2500000 steps (100%)
[13:44:13] Past main M.D. loop
[13:44:13] CoreStatus = 1 (1)
[13:44:13] Client-core communications error: ERROR 0x1
[13:44:13] Deleting current work unit & continuing...
Then, a new WU was downloaded and began to fold.
I'm afraid I will not get credit for this WU...
Re: Project 1487 > 100%
Posted: Thu Dec 27, 2007 9:34 pm
by toTOW
I said : BEFORE the WU reaches 100% ...
Re: Project 1487 > 100%
Posted: Thu Dec 27, 2007 10:16 pm
by bruce
Peter Potrowl wrote:Then, a new WU was downloaded and began to fold.
I'm afraid I will not get credit for this WU...
Running qfix is worth a try if there's a wuresults_0x.dat file in WORK.