Categories, most helpful, and community links

Community links

• Community guidelines
• docs.deepmodeling.com/projects/deepmd

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  When I used the finetuned model for MD simulation, an "out-of-memory" error occurred

  Yancy-Luke asked Jan 20, 2026 in Q&A · Unanswered

  @Yancy-Luke @njzjz-bot

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  Problem compiling deepmd 3.1.2 from cuda 12.9

  qchempku2017 asked Feb 6, 2026 in Q&A · Unanswered

  @qchempku2017 @njzjz-bot

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  Regarding the calculation speed issue of dplr

  yuanxiang-Ji asked Jan 19, 2026 in Q&A · Unanswered

  @yuanxiang-Ji @njzjz-bot

  @yuanxiang-Ji @njzjz-bot

  18
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  DPA3的微调步数

  Zhou-tao-USTC asked Jan 19, 2026 in Q&A · Unanswered

  @Zhou-tao-USTC @njzjz-bot

  @Zhou-tao-USTC @njzjz-bot

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  The error of compressing the model finetuned by DPA-3

  Zhou-tao-USTC asked Jan 22, 2026 in Q&A · Unanswered

  @Zhou-tao-USTC @njzjz-bot

  @Zhou-tao-USTC @njzjz-bot

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  The question about in non-periodic systems about DeepMD-kit、DPGEN、DPA-3

  Zhou-tao-USTC asked Feb 3, 2026 in Q&A · Unanswered

  @Zhou-tao-USTC @njzjz-bot

  @Zhou-tao-USTC @njzjz-bot

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  Failed to install DeePMD on macOS Tahoe 26.2

  joezhang-rpi asked Feb 10, 2026 in Q&A · Unanswered

  @joezhang-rpi @njzjz-bot

  @joezhang-rpi @njzjz-bot

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  [Q&A] DP with i-PI best practices

  question

  JelleLagerweij asked Apr 28, 2026 in Q&A · Unanswered

  @JelleLagerweij @njzjz-bot

  @JelleLagerweij @njzjz-bot

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  [Q&A] DPLR with DPA4 (SeZM) energy model

  question

  yjw0510 asked Aug 17, 2026 in Q&A · Unanswered

  @yjw0510 @njzjz-bot

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  Number of code lines in different branches

  njzjz started Aug 26, 2021 in Show and tell

  @njzjz @njzjz-bot

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  💬

  Install a GPU version of DeepMD and LAMMPS

  achyuttt started Jun 25, 2026 in General

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  [Q&A] Issue running MD/PIMD with PyTorch-based models in LAMMPS/i-PI

  question

  mcourtiel asked Jun 18, 2026 in Q&A · Unanswered

  @mcourtiel @njzjz-bot @yazdanparasthesam

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  5
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  [Q&A] Hybrid DeepMD–Classical Force Field NVT Simulation in CP2K

  question

  drpriyadey asked Jun 8, 2026 in Q&A · Unanswered

  @drpriyadey @Tobi-Adesoye

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  12
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  [Q&A] dp --pt freeze fails for DPA4 with RuntimeError: Unknown type name 'EdgeFeatureCache'

  question

  Zmcmc123 asked Jun 19, 2026 in Q&A · Unanswered

  @Zmcmc123 @krotname @njzjz-bot

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  Bug: pppm/dplr + fix dplr hangs or crashes with multi-MPI (except ntasks=1), including inconsistent behavior with restart and read_data

  Ziyang-You asked Apr 2, 2026 in Q&A · Unanswered

  @Ziyang-You @njzjz-bot @njzjz

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  [Q&A] Recommended Deep Wannier accuracy before using the model in DPLR

  question

  CoderQK asked May 27, 2026 in Q&A · Unanswered

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  Polarizibility training

  mayankaditya started Jun 10, 2026 in General

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  [Q&A] PyTorch backend compression of converted TF se_e2_a models causes unstable LAMMPS MD

  question

  Dm0216 asked May 8, 2026 in Q&A · Answered

  @Dm0216 @wanghan-iapcm

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  Plugin mode installtion

  question

  mayankaditya asked Jun 2, 2026 in Q&A · Unanswered

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  #️⃣

  v3.2.0b0

  njzjz announced Jun 6, 2026 in Announcement

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  Error when running inference on DPA-3

  nisargjoshi10 asked Sep 2, 2025 in Q&A · Answered

  @nisargjoshi10 @iProzd @OutisLi

  @nisargjoshi10 @iProzd @OutisLi

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  ZBL will increase computational cost significantly

  MoseyQAQ asked Mar 26, 2026 in Q&A · Unanswered

  @MoseyQAQ @OutisLi

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  Question about using the analytical Hessian feature (related to PR #5287)

  RA-zoL asked Mar 27, 2026 in Q&A · Answered

  @RA-zoL @njzjz

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  Same training script and model that works in deepmd-kit 3.1.2 fails for 3.1.3

  qchempku2017 asked Mar 27, 2026 in Q&A · Unanswered

  @qchempku2017

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  Suggested Fix and Documentation Update for Building LAMMPS with DeepMD Offline

  chtchelkatchev asked Mar 25, 2026 in Q&A · Unanswered

  @chtchelkatchev

  @chtchelkatchev

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