LINCS error in Folding

Discussion in 'Distributed Computing' started by arogge, Jan 19, 2004.

  1. arogge macrumors 65816

    arogge

    Joined:
    Feb 15, 2002
    Location:
    Tatooine
    #1
    Folding crashed while processing p526_BBA5_pf:

    {
    Quit 101 - Fatal error:
    Step 1631185, time 3262.37 (ps) LINCS WARNING
    relative constraint deviation after LINCS:
    max 0.002470 (between atoms 181 and 183) rms 0.000250
    Simulation instability has been encountered. The run has entered a state from which no further progress can be made.
    }

    Maybe I'm overworking Gromacs. :D
     
  2. bousozoku Moderator emeritus

    Joined:
    Jun 25, 2002
    Location:
    Gone but not forgotten.
    #2
    Well, probably not, but you may believe that, if you like. :D

    They've just violated the minimum distance between atoms necessary for a correct calculation. It happens on certain work units and they've worked to eliminate these validity problems.

    You may get some credit for it.
     
  3. Selecter macrumors member

    Joined:
    Dec 31, 2003
    Location:
    West Virginia
    #3
    actually I got that same error when I was pushing my AMD box too hard at 2366 mhz. No good for Folding. :D The actual chip is a Barton 2500+.

    I cut it back to standard overclocked XP3000+ speed (2.17Ghz) and it has run fine ever since. So if you have that thing OC'ed Mac or PC cut it down a hair and see if it clears up.

    The AMD is producing 80-100 points a day.
     
  4. arogge thread starter macrumors 65816

    arogge

    Joined:
    Feb 15, 2002
    Location:
    Tatooine
    #4
    Folding crashed again while processing p1034_A21nat_305_99:

    {
    Quit 101 - Fatal error:
    Step 1139250, time 2278.5 (ps) LINCS WARNING
    relative constraint deviation after LINCS:
    max 0.001734 (between atoms 41 and 43) rms 0.000204
    }

    And the old AMD chip still seems to be faster than the new G4 when using Gromacs. :(
     
  5. bousozoku Moderator emeritus

    Joined:
    Jun 25, 2002
    Location:
    Gone but not forgotten.
    #5
    I had one the other day, too. I got partial credit for it.
     

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