Project 1487 > 100%

[Peter Potrowl]

Hello !

I'm folding a p1487 and the computer completed more than 100% of the calculation :

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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 ?

[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%.

[toTOW]

You can force a core update BEFORE the WU passes 100%, this bug has been fixed, but it doesn't update automatically.

[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%.

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[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 :

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[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...

[toTOW]

I said : BEFORE the WU reaches 100% ...

[bruce]

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.