Incorrect Atom Count

From: Charles Zhao (cicero225_at_yahoo.com)
Date: Wed Dec 02 2009 - 15:53:51 CST

After equilibrating with a periodic cell for 68000 steps, my simulation terminated, complaining of the patches growing too small. I have seen online that the easiest and most useful approach to dealing with this is simply to restart the simulation from saved vel, coor, and xsc, which will cause the patches to reset and the simulation to proceed. However, attempting to do this, I find that the simulation terminates upon reading the coor file, complaining of:

FATAL ERROR: Incorrect atom count in binary file

This makes no sense to me. WrapWater and WrapAll are turned on, so no molecules could escape, and it seems strange that the atom count would somehow change. I have not found a satisfactory solution so far, and using the old version of the coor/vel/xsc gives the same result.

      

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