Discussions

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  During the model_devi process, an error occurred that lost atoms

  manbujin asked Dec 9, 2022 in Q&A · Unanswered

  

  

  

  

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  Unrecognized pair style 'deepmd' (src/force.cpp:279)

  chenfan22 asked Mar 10, 2023 in Q&A · Closed · Unanswered

  

  

  

  

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  An error occurred while training the potential function after calculating single-point energies using VASP

  niuniu800 asked Jul 5, 2024 in Q&A · Unanswered

  

  

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  Question regarding initial dataset

  roger13231 asked Jul 2, 2024 in Q&A · Unanswered

  

  

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  training system size for dpgen process?

  KeouLee asked Jun 30, 2024 in Q&A · Unanswered

  

  

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  The fp process cannot iterate after dpgen training is complete

  Baopidragon1 asked Jun 30, 2024 in Q&A · Unanswered

  

  

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  How to use the random_alloy function in dpgen?

  XTUer008 asked Aug 12, 2021 in Q&A · Answered

  

  

  

  

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  error message about gromacs and yaml when dpgen is installed.

  whitecitizen asked Jun 21, 2024 in Q&A · Answered

  

  

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  Whether the dpa1 can be used in the dpgen?

  Guancred asked Jun 6, 2024 in Q&A · Unanswered

  

  

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  Failure in setting up machine.json for multiple GPU training

  solved

  shuaijiang-ustc asked Mar 13, 2022 in Q&A · Unanswered

  

  

  

  

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  TypeError: Mismatch between array dtype ('object') and format specifier ('%.18e')

  chb-deep asked May 11, 2024 in Q&A · Unanswered

  

  

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  How to achieve element replacement through "dpgen simplify"

  h757062840 asked Mar 9, 2024 in Q&A · Unanswered

  

  

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  The DP potential function is mixed with the EAM potential and the LJ potential

  manbujin asked Apr 19, 2024 in Q&A · Unanswered

  

  

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  single point energe calculate

  Edinbur asked Apr 28, 2024 in Q&A · Unanswered

  

  

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  I would like to ask a question about the dpgen simplify function

  question Further information is requested

  xwxwshi asked May 23, 2024 in Q&A · Unanswered

  

  

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  How to start dpgen with a deepmd model

  goodluck-xyz asked May 13, 2024 in Q&A · Unanswered

  

  

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  Solutions for insufficient video memory in large-scale system calculations

  shisan-yx asked May 2, 2024 in Q&A · Unanswered

  

  

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  About the fp run in dpgen

  Niuyutao asked Apr 22, 2024 in Q&A · Unanswered

  

  

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  An err when dpgen run iter.01

  2391328947 asked Apr 27, 2024 in Q&A · Unanswered

  

  

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  Lammps is simulated with too much memory

  manbujin asked Apr 19, 2024 in Q&A · Unanswered

  

  

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  I run the dpgen ，and here are the errors

  wzdns asked May 5, 2024 in Q&A · Unanswered

  

  

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  How to convert the MD trajectory file. xyz. ener, etc. of cp2k into input data for dpgen?

  chenyuping6 asked Jan 13, 2024 in Q&A · Unanswered

  

  

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  How do I restart a Task after it terminates unexpectedly?

  question Further information is requested

  Duanmu37 asked May 27, 2024 in Q&A · Unanswered

  

  

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  An error when the job is submitted to a remote cluster

  phyoung123 asked Jun 15, 2022 in Q&A · Unanswered

  

  

  

  

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  dpgen runs and ends normally, but the 02.fp file is empty.

  ziqi-hu asked Aug 24, 2022 in Q&A · Answered

  

  

  

  

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