Metadynamics Hills Output

[Anthony Debellis]

Dear Sirs,

I am running direct metadynamics with the following input section:

&FREE_ENERGY

METHOD METADYN

   &METADYN

   DO_HILLS .TRUE.

   NT_HILLS 150

   MIN_NT_HILLS 50

   MIN_DISP 0.03

   WW 1.0e-3


      &METAVAR

      COLVAR 1

      SCALE 0.02

      &END METAVAR

      &METAVAR

      COLVAR 2

      SCALE 0.02

      &END METAVAR

   &PRINT

      &COLVAR

      COMMON_ITERATION_LEVELS 1

         &EACH

         MD 50

         &END

      &END COLVAR

      &HILLS

      COMMON_ITERATION_LEVELS 1

         &EACH

         MD 50

         &END

      &END HILLS

   &END PRINT

   &END METADYN

&END FREE_ENERGY


The run has produced a single COLVAR file but several HILLS files presently 
numbered from HILLS-1_150 to HILLS-1_600.  The .ener (and COLVAR) file 
shows that the run is active and presently at step 950.


My questions are:

Why has cp2k stopped creating HILLS files?

Should I not see HILLS files created AT LEAST every 150 (NT_HILLS) steps?

Furthermore, why are multiple HILLS files created rather than a single 
HILLS file as is the case for the COLVAR file?


Please help!


Regards,

Anthony
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