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Issues list

Model Transfer LAMMPS Error Between GPUs in HPC Environment
#1015 opened Jun 12, 2025 by RivasAntonio
data.Configuration in Tutorials
#1011 opened Jun 9, 2025 by amgb20
Torch.compile does not fill force tensor in PT2.7
#1008 opened Jun 8, 2025 by vbharadwaj-bk
Plans for dropping support for python 3.7, 3.8 and 3.9
#1002 opened Jun 4, 2025 by CompRhys
LAMMPS run returns NaN energies/forces when model is down-cast from float64 → float32 via create_lammps_model.py
#990 opened May 27, 2025 by ShiQiaoL
1
Per-atom stress calculation issue
#980 opened May 19, 2025 by jycho5758
8
Pre-processed data loading error
#962 opened May 14, 2025 by Lei-Lei-alpha
5
Preprocessing error for test file
#947 opened May 8, 2025 by ElliottKasoar
mace_run_train reports crazy error if fitting set contains configs that have no reference data
#939 opened Apr 29, 2025 by bernstei
out of memory in later epochs in fine-tuning (no multihead), multi-GPU
#928 opened Apr 22, 2025 by bernstei
1
compute_forces=False flag not working for fine-tuning MACE foundational model on energy only (v0.3.12) bug Something isn't working
#905 opened Apr 7, 2025 by amannsonii3
1
Runtime error for LAMMPS MACE using containers
#902 opened Apr 4, 2025 by namehta4
@wcwitt
5
mace_run_train does not support lists for full training but does for ft
#887 opened Mar 26, 2025 by alinelena
4
mace_run_train multihead finetuning SILENTLY ignores --lr
#884 opened Mar 24, 2025 by bernstei
11
also dump raw data for plots
#878 opened Mar 20, 2025 by alinelena
mixing creation and use of float32 and float64 calculators leads to a crash
#877 opened Mar 19, 2025 by bernstei
3
Update MACE-OpenMM interface documentation OpenMM
#838 opened Feb 28, 2025 by shrshr111
@jharrymoore
1
Environment variables for SLURM distributed training
#828 opened Feb 21, 2025 by aschankler
4
Segmentation fault using MACE with LAMMPS on GPU lammps
#823 opened Feb 10, 2025 by bgruzs
LAMMPS Seg faulting after installing it from the MACE repo lammps
#819 opened Feb 7, 2025 by ShubhangG
Issue with compiling mode in ASE calculator for map0/mpb0 model in MACE v0.3.10
#816 opened Feb 4, 2025 by yixian929
4
store version/features used in the model so that code that reads it does not misinterpret and provide incorrect results enhancement New feature or request
#776 opened Jan 10, 2025 by bernstei
2
restart multihead fine-tuning fit enhancement New feature or request
#773 opened Jan 7, 2025 by bernstei
3
cuEq-accelerated MACE gives error for num_interactions=1 enhancement New feature or request
#749 opened Dec 13, 2024 by lucasdekam
2
RuntimeError: mat1 and mat2 shapes cannot be multiplied when calling get_potential_energy() bug Something isn't working
#728 opened Dec 2, 2024 by GUANGZChen
14
ProTip! What’s not been updated in a month: updated:<2025-05-14.
0