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KOKKOS GPU cudaErrorIllegalAddress with pair_allegro (LAMMPS 11Feb2026 + CUDA 12.4 + PyTorch 2.6

Status: Open.

#87 In mir-group/pair_nequip_allegro;

· 2297019091 opened on May 14, 2026

AOTI model crashes with allegro/kk on CPU

Status: Open.

#86 In mir-group/pair_nequip_allegro;

· 2297019091 opened on Apr 18, 2026

Question about GPU/CPU model & LAMMPS Kokkos backend compatibility

Status: Open.

#85 In mir-group/pair_nequip_allegro;

· 2297019091 opened on Apr 16, 2026

virials with nequip or allegro

Status: Open.

#84 In mir-group/pair_nequip_allegro;

· ch13068 opened on Mar 26, 2026

Link error on MacOS M-chips

Status: Open.

#83 In mir-group/pair_nequip_allegro;

· LiuGaoyong opened on Mar 12, 2026

Patch does not work with LAMMPS newest feature release.

Status: Open.

#81 In mir-group/pair_nequip_allegro;

· hmcezar opened on Feb 13, 2026

Deadlock when using fix addbornforce with Allegro potential

Status: Open.

#80 In mir-group/pair_nequip_allegro;

· 2297019091 opened on Feb 4, 2026

allegro_pair style and empty partitions

bugSomething isn't workingSomething isn't working

Status: Open.

#45 In mir-group/pair_nequip_allegro;

· nec4 opened on Jun 3, 2024

Calculating virial stress in lammps

Status: Open.

#42 In mir-group/pair_nequip_allegro;

· Tawfiq1448 opened on May 15, 2024

Issue of running NEB with mpirun

Status: Open.

#33 In mir-group/pair_nequip_allegro;

· WJiangH opened on Oct 11, 2023

Request for Raw Benchmark Data from Paper

Status: Open.

#27 In mir-group/pair_nequip_allegro;

· yueyericardo opened on Jul 26, 2023

Virial and Lammps interface

Status: Open.

#9 In mir-group/pair_nequip_allegro;

· Huni-ML opened on Dec 5, 2022