PLUMED restart error

[Gourav Chakraborty]

I am running a combination of OPES and eABF simulations (OPES-eABF hybrid), as suggested in the recent Hulm et al. paper. But due to power issues I had to kill my job (I am using AMBER-24 patched with Plumed 2.9.2 with both OPES and drr modules turned on while installing). Now the problem is, while trying to restart my job, I am getting this error:
PLUMED: Action OPES_METAD_EXPLORE
PLUMED:   with label opesE
PLUMED:   with arguments eabf.lda_cv_fict
PLUMED:   added component to this action:  opesE.bias
PLUMED:   RESTART - make sure all used options are compatible
PLUMED:     restarting from: Kernels.data
PLUMED:  +++ WARNING +++ RESTART from KERNELS might be approximate, use STATE_WFILE and STATE_RFILE to restart from the exact state
PLUMED:
PLUMED:
PLUMED: ################################################################################
PLUMED:
PLUMED:
PLUMED: +++ PLUMED error
PLUMED: +++ at IFile.cpp:98, function PLMD::IFile& PLMD::IFile::advanceField()
PLUMED: +++ message follows +++
PLUMED: file Kernels.data: mismatch between number of fields in file and expected number
PLUMED:  this is the faulty line:
PLUMED:                  2127.2      1.12428
PLUMED:
PLUMED: ################################################################################
PLUMED:
terminate called after throwing an instance of 'PLMD::ExceptionError'
  what():  
+++ PLUMED error
+++ at IFile.cpp:98, function PLMD::IFile& PLMD::IFile::advanceField()
+++ message follows +++
file Kernels.data: mismatch between number of fields in file and expected number
 this is the faulty line:
                 2127.2      1.12428

Program received signal SIGABRT: Process abort signal.
How to fix this?
The last line of my Kernels.data file is this:
16474       2.48705933420246     0.3598054214284143      16.42311847807021      37.36666096266303
                16474.2      2.224093692539815     0.3598053762552338

and the headers are:
#! FIELDS time eabf.lda_cv_fict sigma_eabf.lda_cv_fict height logweight
#! SET action OPES_METAD_EXPLORE_kernels
#! SET biasfactor       96.99384075648452
#! SET epsilon       0.364067009945999
#! SET kernel_cutoff       13.92794606225085
#! SET compression_threshold

forget about the parameters (as the values of the parameters are not an issue, it is some file synchronzation that is causing the problem).

[Michele Invernizzi]

Hi,

It seems that the last line in the kernels file is truncated (it has only 3 numbers instead of 5), try removing it and then restart the simulation.

Best,

Michele

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