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Issues list

simulation crashes at start in lammps with scalar double float error
#61 opened Feb 12, 2025 by Anikeya
pair_allegro: torch version 1.11 and lib torch issue
#59 opened Feb 3, 2025 by devireddyprasanth22
use lammps inference not quickly, but use python to run model is fast
#57 opened Jan 7, 2025 by WorldPeace123
3
"Non-numeric pressure" error (pressure = -nan) when attempting NPT in LAMMPS
#53 opened Aug 23, 2024 by samueldyoung29ctr
6
LAMMPS-Allegro compile failed
#52 opened Aug 19, 2024 by ChengQIAN93
1
Segmentation Fault in LAMMPS Simulation with hybrid classical LJ and NequIP Potentials
#51 opened Jul 31, 2024 by HasnainMSajid
LAMMPS-Allegro compile failed with pytorch 1.11.0 I build...
#50 opened Jul 26, 2024 by turbosonics
3
Error compiling pair_allegro with LAMMPS in google colab tutorial
#49 opened Jul 3, 2024 by Khan-Jnu
2
Exception: expected scalar type Double but found Float
#48 opened Jul 2, 2024 by peterTHC
5
allegro_pair style and empty partitions bug Something isn't working
#45 opened Jun 3, 2024 by nec4
7
Calculating virial stress in lammps
#42 opened May 15, 2024 by Tawfiq1448
11
RuntimeError: CUDA error: device-side assert triggered
#39 opened Mar 6, 2024 by gvishwak-ornl
2
Issue of running NEB with mpirun
#33 opened Oct 11, 2023 by WJiangH
6
Request for Raw Benchmark Data from Paper
#27 opened Jul 26, 2023 by yueyericardo
Virial and Lammps interface
#9 opened Dec 5, 2022 by Huni-ML
14
ProTip! Updated in the last three days: updated:>2025-02-15.