Some errors about PIGLET
    binbin lu 
    lbb10... at gmail.com
       
    Wed May  3 13:28:29 UTC 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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20170503/5adb1c40/attachment.htm>
    
    
More information about the CP2K-user
mailing list