Discussions

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  structure of fparam

  chtchelkatchev asked Oct 30, 2024 in Q&A · Answered

  

  

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  The accuracy of DP Gen based on DPA-2 pre trained model is 0 for each iteration

  JiangXiaoMingSan asked Oct 30, 2024 in Q&A · Unanswered

  

  

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  The accuracy of DP Gen based on DPA-2 pre trained model is 0 for each iteration

  JiangXiaoMingSan asked Oct 30, 2024 in Q&A · Unanswered

  

  

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  Added ZBL parameter to train.json in DPA2's distilltion, but ZBL in the potential function is incorrect

  JiangXiaoMingSan asked Oct 28, 2024 in Q&A · Unanswered

  

  

  

  

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  type.raw and type_map.raw don not correspond to dft output

  hdjani asked Oct 29, 2024 in Q&A · Unanswered

  

  

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  Encounting NotImplementedError when finetuning a Single-Task .pth model

  darkgezi asked Oct 25, 2024 in Q&A · Unanswered

  

  

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  Interfaces for phonon packages

  ZhihaoXu0313 started Oct 25, 2024 in General

  

  

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  Still failed to detect OP_CXX_ABI with the latest devel version

  haideeyuan asked Oct 26, 2022 in Q&A · Answered

  

  

  

  

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  How to train hundreds of systems of convalent moleculars ?

  zhoufy20 asked Oct 19, 2024 in Q&A · Unanswered

  

  

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  Big difference in results of lattice between dp.predict and lammps.minimize.

  Saberve asked Jan 26, 2024 in Q&A · Unanswered

  

  

  

  

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  Unrecognized pair style 'deepmd'

  EricGaoOm started Oct 14, 2024 in General

  

  

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  Segmentation fault when running lammps with deepmd + kspace + bond/angle information

  dkussainova asked Oct 5, 2024 in Q&A · Unanswered

  

  

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  How to restart one DPA-2 training task in DP-GEN?

  chenggoj asked Oct 4, 2024 in Q&A · Unanswered

  

  

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  GPU Parallelism issue when using Pytorch as backend in DeePMD-kit 3.0.0b4

  chenggoj asked Oct 1, 2024 in Q&A · Answered

  

  

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  Issue with GPU parallelization in LAMMPS from conda-built deepmd-gpu-2.2.10

  chenggoj asked Sep 30, 2024 in Q&A · Unanswered

  

  

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  LAMMPS GPU Parallelization Issue in DP-GEN Workflow

  chenggoj asked Sep 28, 2024 in Q&A · Answered

  

  

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  Unable to run LAMMPS using DPA-2 v300b3

  jjmqz asked Sep 1, 2024 in Q&A · Unanswered

  

  

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  Error in parallel training with multi-gpus using pytorch ddp

  jjmqz asked Sep 21, 2024 in Q&A · Unanswered

  

  

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  Issue With the Sel Determination

  mcourtiel asked Sep 24, 2024 in Q&A · Closed · Unanswered

  

  

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  ASE vs DeepMD inconsistency

  podgaetsky asked Aug 31, 2024 in Q&A · Unanswered

  

  

  

  

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  DeePMD + LAMMPS on LUMI

  sigbjobo started May 12, 2023 in General

  

  

  

  

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  Can not run DPA-2 pretrained model for finetuning

  Zch102xjtumse asked Sep 13, 2024 in Q&A · Answered

  

  

  

  

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  How can I use DPA-2.2.0-v3.0.0b3??

  Hanuklee asked Aug 29, 2024 in Q&A · Unanswered

  

  

  

  

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  static link of the C-interface of DeepMD libraries

  taccchen started Sep 16, 2024 in General

  

  

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  An error occurs when invoking LAMMPS in parallel within the DeepMD environment.

  niuniu800 asked Sep 12, 2024 in Q&A · Unanswered

  

  

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