Discussions

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  Errorno2 in iter.00001 task 06

  haku0462 asked Apr 4, 2025 in Q&A · Closed · Unanswered

  

  

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  dpdata: RuntimeError: system has virials, but this does not

  MaterialDesign-USTS asked Dec 31, 2025 in Q&A · Unanswered

  

  

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  DPgen： model_devi_e_trust_lo and _hi do not work

  MaterialDesign-USTS asked Dec 30, 2025 in Q&A · Unanswered

  

  

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  The inconsistency issue in dpgen results

  li-shining asked Dec 14, 2025 in Q&A · Unanswered

  

  

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  How to specify the P-T condition for each set of initial structures during the model_devi stage

  wxwth asked Nov 25, 2025 in Q&A · Unanswered

  

  

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  How to run dpgen model_devi on RTX A6000 (CUDA 11+) when lammps-dp conda packages are CUDA 10 only?

  Collapsar126 asked Nov 25, 2025 in Q&A · Closed · Unanswered

  

  

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  The compatibility issues among DPGEN 0.13.2, DeepMD 2.2.10, and MKL 2023.

  li-shining started Nov 23, 2025 in General

  

  

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  elastic constant at finite temperature

  XueMaXue asked Oct 30, 2025 in Q&A · Unanswered

  

  

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  Please Help: unknown error for trying training

  LingjunWu92 asked Oct 26, 2025 in Q&A · Unanswered

  

  

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  HELP: subprocess.CalledProcessError

  LingjunWu92 asked Oct 24, 2025 in Q&A · Closed · Unanswered

  

  

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  HELP: subprocess.CalledProcessError

  LingjunWu92 asked Oct 24, 2025 in Q&A · Closed · Unanswered

  

  

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  when running dpgen to CP2K,The cp2k input file is indexed cp2k/data

  Phantomzyz asked Oct 4, 2025 in Q&A · Unanswered

  

  

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  FileExistsError in dpgen run stage

  BigJinyuanzi asked Sep 17, 2025 in Q&A · Unanswered

  

  

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  Problem with training data format

  Tubakabura asked Dec 11, 2023 in Q&A · Answered

  

  

  

  

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  How to choose the ratio of stop_batch/decay_steps to have a better predictbility of potential. Using 5~10 seems to be better than 200 which was mentioned in DP video tutorial

  roger13231 asked Sep 3, 2025 in Q&A · Unanswered

  

  

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  Accuracy ratio decreases after dpgen active learning

  ZKNB asked Jul 5, 2025 in Q&A · Unanswered

  

  

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  During the dpgen process, step 04 will interrupt and report an error("run_tasks for model devi should not be empty! Please check your files.")，At the same time, the files required for subsequent tasks were not generated in the 01.model_devi folder

  bug Something isn't working

  XuFanffei asked Sep 8, 2023 in Q&A · Unanswered

  

  

  

  

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  Question about "Whether Surface Slab thickness need to be larger than Rcut"

  roger13231 asked Jul 20, 2025 in Q&A · Unanswered

  

  

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  nforce in OUTCAR is not equal to settings in INCAR

  Normadp asked Jul 15, 2025 in Q&A · Unanswered

  

  

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  Can't run the default DP-GEN example; KeyError: 'elements'

  aFrogAsks asked Jul 15, 2025 in Q&A · Unanswered

  

  

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  Erro of init_bulk: WARNING : in directory XXX/POSCAR.02x02x02/02.md/sys-0008-0008-0024 nforce in OUTCAR is not equal to settings in INCAR

  biglinn asked Feb 13, 2024 in Q&A · Unanswered

  

  

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  WARNING : in directory nforce in OUTCAR is not equal to settings i n INCAR

  Saberve started Nov 29, 2022 in General

  

  

  

  

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  dpgen : sys_configs does not support glob pattern as expected

  ccchenjj asked Jul 11, 2025 in Q&A · Unanswered

  

  

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  Question about dpgen init_bulk

  Zhengyan-Jiang asked Jul 4, 2025 in Q&A · Unanswered

  

  

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  The specific operation process of the dpgen init_surf command

  fffffreeeeee asked Jul 2, 2025 in Q&A · Closed · Unanswered

  

  

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