Discussions

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  Issue when running Lammps with Kokkos GPU and Allegro potential for calculating Elastic Constants

  ArcXeon asked Nov 5, 2025 in Q&A · Unanswered

  

  

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  system blew up when using a nequip pair_style in lammps

  Haihuichem asked Oct 15, 2025 in Q&A · Unanswered

  

  

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  About using compute_allegro

  SeungJay asked Jul 31, 2025 in Q&A · Unanswered

  

  

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  Multi GPUs in lammps without Kokkos

  afour9961207 asked Jun 10, 2025 in Q&A · Unanswered

  

  

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  Bottlenecks Running Allegro in LAMMPS

  tawe141 asked May 31, 2024 in Q&A · Closed · Unanswered

  

  

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  pair_style with develop version of nequip/allegro

  matr1x-1 asked Jan 7, 2025 in Q&A · Closed · Answered

  

  

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  Error in multicut branch

  hmcezar asked Mar 5, 2024 in Q&A · Closed · Unanswered

  

  

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  ERROR with Building LAMMPS with pair_allegro in Mac with arm64 Architecture

  ddhabal asked Mar 31, 2025 in Q&A · Answered

  

  

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  Exception: Argument passed to at() was not in the map.

  Declanwhx started Feb 5, 2025 in General · Closed

  

  

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  pair_allegro torch/tensor error in LAMMPs

  BryantLi-BLI asked Dec 18, 2023 in Q&A · Answered

  

  

  

  

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  Error compiling Allegro with LAMMPS in google colab tutorial

  Khan-Jnu started Jul 2, 2024 in General · Closed

  

  

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  Using Allegro with pair_style/hybrid/overlay/kk and pair_style/zbl/kk

  mstapelberg started Jun 10, 2024 in General

  

  

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  Atomic virials

  enikidis asked Jun 19, 2023 in Q&A · Answered

  

  

  

  

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  Looking for Allegro Pre-trained Model

  jkhanChE asked May 14, 2024 in Q&A · Unanswered

  

  

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  Trouble Running Deployed Model: Exception: Argument passed to at() was not in the map.

  mstapelberg asked Dec 13, 2023 in Q&A · Answered

  

  

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  Allegro LAMMPS on AMD GPUs

  johkl started Jun 15, 2023 in General

  

  

  

  

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  Building pair_allegro container

  namehta4 started Dec 4, 2023 in General

  

  

  

  

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  MAKE Pair-allegro error with the newer LAMMPS version

  upavelru asked Oct 1, 2023 in Q&A · Closed · Unanswered

  

  

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  Cuda errors while trying to cmake nequip

  AbhayNag0 started Sep 13, 2023 in General

  

  

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  Replicating the same outputs as Pair_Allegro within LAMMPS

  ryandeng1 asked Aug 13, 2023 in Q&A · Closed · Answered

  

  

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  CUDA memory requirement scaling with system size

  yifan-henry-cao asked Jun 22, 2023 in Q&A · Answered

  

  

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  Double/Float error deploying pair_allegro

  apoletayev asked Apr 15, 2023 in Q&A · Closed · Unanswered

  

  

  

  

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  LAMMPS compilation issue with pair_allegro

  yifan-henry-cao asked May 13, 2023 in Q&A · Answered

  

  

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  Unbalanced memory distribution with multiple gpus

  Hongyu-yu asked Feb 9, 2023 in Q&A · Answered

  

  

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  lammps cpu mpirun test

  chen-jialan asked Feb 11, 2023 in Q&A · Unanswered

  

  

  

  

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