DRR abnormally writing state file slows down the simulation speed

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Kaiyuan Song

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Sep 29, 2025, 4:36:55 PM (5 days ago) Sep 29
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Hi,

I'm trying to use the wtm-eabf method, but the eabf/DRR keeps writing state files when the MD engine writes a checkpoint file, which drastically slows down the simulation. I'm not sure whether this is a bug or the setting is inappropriate.
plumed version: 2.10
gromacs version: 2025.1
PLUMED.OUT:
PLUMED: eABF/DRR: The MD engine is writing checkpoint so we also write a DRR state file at step: 1552401.
PLUMED: eABF/DRR: The MD engine is writing checkpoint so we also write a DRR state file at step: 1552402.
PLUMED: eABF/DRR: The MD engine is writing checkpoint so we also write a DRR state file at step: 1552403.
...
...

DRR settings:
DRR ...
   ARG=d_peg.z,dz_sum
   FULLSAMPLES=500
   GRID_MIN=-6,-1
   GRID_MAX=6,1
   REFLECTINGWALL=1,1
   GRID_BIN=200,200
   FRICTION=8.0,8.0
   TAU=0.5,0.5
   OUTPUTFREQ=50000
   HISTORYFREQ=5000000
   LABEL=eabf
...




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