Author Topic: Error  (Read 2265 times)

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Offline asd.2007mail@gmail.com

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Error
« on: November 7, 2016, 16:00 »
I am using VNL-ATK 2016.2 trial version for NEB calculation I used 24 cores. I am getting following errors.

Traceback (most recent call last):
  File "N.py", line 5818, in <module>
    climbing_image=False,
  File "./zipdir/NL/Dynamics/Optimization/OptimizeNudgedElasticBand.py", line 581, in OptimizeNudgedElasticBand
  File "./zipdir/NL/Dynamics/Optimization/OptimizeNudgedElasticBand.py", line 276, in projectedForces
  File "./zipdir/NL/Dynamics/Optimization/OptimizeNudgedElasticBand.py", line 232, in _update
  File "./zipdir/NL/CommonConcepts/Configurations/NudgedElasticBand.py", line 815, in update
  File "./zipdir/NL/ComputerScienceUtilities/ParallelTools/ParallelTools.py", line 897, in ParallelEnergyAndForces
  File "./zipdir/NL/ComputerScienceUtilities/ParallelTools/StaticTaskScheduler.py", line 212, in run
  File "./zipdir/NL/ComputerScienceUtilities/ParallelTools/StaticTaskScheduler.py", line 269, in __runInParallelMode
  File "./zipdir/NL/ComputerScienceUtilities/ParallelTools/ParallelTools.py", line 887, in calculateEnergiesAndForces
  File "./zipdir/NL/Analysis/TotalEnergy.py", line 32, in __init__
  File "./zipdir/NL/ComputerScienceUtilities/Timer.py", line 45, in __call__
  File "./zipdir/NL/Analysis/TotalEnergy.py", line 31, in <lambda>
  File "./zipdir/NL/Calculators/Interfaces/CachedCalculator.py", line 26, in totalEnergyWrapper
  File "./zipdir/NL/Calculators/SemiEmpirical/HuckelCalculator/Analysis/TotalEnergy.py", line 19, in calculateHuckelTotalEnergy
  File "./zipdir/NL/Calculators/SemiEmpirical/HuckelCalculator/Analysis/EnergyForcesStressUtilities.py", line 141, in setupEnergyForcesStress
  File "./zipdir/NL/CommonConcepts/Configurations/AtomicConfiguration.py", line 1491, in update
  File "./zipdir/NL/Calculators/Interfaces/BulkCalculatorInterface.py", line 266, in _update
  File "./zipdir/NL/Calculators/SemiEmpirical/HuckelCalculator/HuckelCalculator.py", line 629, in scfLoop
  File "./zipdir/NL/Calculators/GenericParameters/CheckpointHandler.py", line 156, in _storeIfNecessary
  File "./zipdir/NL/IO/IOUtilityFunctions.py", line 1147, in createNetCDFFile
  File "./zipdir/NL/IO/MetaCDFFile.py", line 251, in __init__
  File "./zipdir/NL/IO/MetaCDFFile.py", line 893, in _read
NL.ComputerScienceUtilities.Exceptions.NLIOError: Error: /home/abhijeet/ncl/*_checkpoint.nc is not a valid NetCDF 3 file
application called MPI_Abort(MPI_COMM_WORLD, 1) - process 5

« Last Edit: November 11, 2016, 05:03 by asd.2007mail@gmail.com »

Offline Jess Wellendorff

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Re: Error
« Reply #1 on: November 11, 2016, 14:05 »
The error seems to happen when an NC file with the sign "*" in it is specified. That will not work. Could you attach the script that produced this error? I guess you did not yourself specify that file name, right?