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
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