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55 Open 282 Closed
55 Open 282 Closed
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Issues list

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
multi-GPU mpirun Segmentation fault issue lammps
#863 opened Mar 14, 2025 by liuyenfu
Cannot Load mace_anicc
#853 opened Mar 10, 2025 by corinwagen
6
Error during LAMMPS compilation with ELECTRODE package lammps
#851 opened Mar 10, 2025 by skethirajan
1
Error when generating LAMMPS model with create_lammps_model.py lammps
#850 opened Mar 8, 2025 by Byebyjack
2
Error Running LAMMPS-MACE in Parallel on CPU Using mpirun lammps
#843 opened Mar 6, 2025 by moonsheeeeeep
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
Potentials Fail on LAMMPS but ok in ASE lammps
#814 opened Feb 3, 2025 by cecilia-hong
9
Multi-GPU run on LAMMPS facing "CUDA out of memory" error lammps
#777 opened Jan 12, 2025 by fbhuiyan2
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
ERROR: pair_mace does not support vflag_atom when run lammps-mace enhancement New feature or request
#756 opened Dec 18, 2024 by liubaoshuai1402
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
Unable to start finetuning enhancement New feature or request
#724 opened Nov 29, 2024 by cecilia-hong
20
The inconsistent property key for Multihead bug Something isn't working
#692 opened Nov 13, 2024 by MengnanCui
2
Stacked at evaluation at the end of training for multi-GPU and patience termination bug Something isn't working
#677 opened Nov 8, 2024 by dbidoggia
3
Use proper logging instead of print statements enhancement New feature or request
#650 opened Oct 22, 2024 by Andrew-S-Rosen
@vue1999
MACE compile mode test failures with InternalTorchDynamoError and Unsupported exceptions in main bug Something isn't working
#639 opened Oct 15, 2024 by yixian929
1
better default for device used to _save_ model in run_train enhancement New feature or request
#635 opened Oct 11, 2024 by bernstei
2
ProTip! Exclude everything labeled bug with -label:bug.