Some errors about PIGLET

binbin lu lbb10... at gmail.com
Wed May 3 15:28:29 CEST 2017


Dear all,
    Recently, I tried to learn cp2k and combine Generalized Langevin
Equation Thermostat(GLET) and path integeral(PI). But I meet some
questions.If I don't use GELT or LET, then the input file can run. There
are some errors if I add the GLET and LET.
The error is below:
Forrtl: severe (66): output statement overflows record, unit -5, file
Internal List-Directed Write

The part of input file is below:
&MOTION
  &PINT
    P                       8  #beads
    PROC_PER_REPLICA        8
    NUM_STEPS               2
    TEMP                    1500.0
    DT                      0.2
    NRESPA                  8
    TRANSFORMATION          NORMAL
    PROPAGATOR              RPMD
#    HARM_INT                EXACT
    &PIGLET
      SMATRIX_INIT          DIAGONAL
      MATRICES_FILE_NAME    PIGLET_P8_2000K
    &END PIGLET
  &END PINT
  &PRINT
    &VELOCITIES
    &END VELOCITIES
  &END PRINT
&END MOTION

    Could you please help me?
    Thank you in advance.
Binbin
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