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41 Open 160 Closed
41 Open 160 Closed
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Issues list

LAMMPS-GPU (mace) installed Failed
#503 opened Jul 5, 2024 by waywaygirl
2
Could you please share with more examples that use MACE in LAMMPS?
#497 opened Jul 1, 2024 by waywaygirl
5
CUDA out of memory from MD with MP-0 pre-trained model using 'big' geometry.
#487 opened Jun 24, 2024 by turbosonics
5
Flexibility in choosing which checkpoint to save during multi-head training. multi-head
#479 opened Jun 21, 2024 by LarsSchaaf
1
How to use LAMMPS to train a larger system? lammps
#476 opened Jun 20, 2024 by stargolike
5
First experiment using lammps with a pretrained potential (mace mp0) lammps
#473 opened Jun 19, 2024 by nihil39
6
How to use multi-training without slurm system? multi-gpu
#458 opened Jun 11, 2024 by stargolike
11
stress errors reported during fitting and at end should be consistent bug Something isn't working
#442 opened Jun 4, 2024 by bernstei
4
select pretrained configs for multihead replay with or without replacement? multi-head
#432 opened May 30, 2024 by bernstei
2
Dipole fitting on multi-GPU
#430 opened May 27, 2024 by VondrakMar
Training flag not working
#429 opened May 20, 2024 by ericyuan00000
2
Error reading 'extended' xyz format files
#415 opened May 12, 2024 by venkatkapil24
23
How to run multi-GPU with mace-lammps?
#414 opened May 11, 2024 by stargolike
a couple of weird statements in new multihead fine-tuning interface code multi-head
#408 opened May 5, 2024 by bernstei
2
error table sometimes missing stress/virial columns
#395 opened Apr 26, 2024 by bernstei
1
need to be able to specify what head is used for _prediction_ with a multihead model multi-head
#390 opened Apr 23, 2024 by bernstei
1
dict_to_array (in multi-head-finetune) does not ensure E0s are in correct order multi-head
#382 opened Apr 19, 2024 by bernstei
undefined calc in multi-head-finetune branch run_train.py multi-head
#380 opened Apr 18, 2024 by bernstei
1
1
E0 bug in multi-head fine tuning multi-head
#371 opened Apr 6, 2024 by bernstei
3
some parameters are None in foundation branch multi-head
#361 opened Mar 28, 2024 by jungsdao
Don't modify torch default dtype
#328 opened Feb 24, 2024 by janosh
1
multi-gpu lammps issue lammps
#322 opened Feb 11, 2024 by hwsheng
6
Update install instructions for conda-forge
#313 opened Feb 1, 2024 by jthorton
5
cuda device with a number ignored
#301 opened Jan 18, 2024 by bernstei
1
MACE-LAMMPS meta issue lammps
#278 opened Jan 6, 2024 by wcwitt
10 tasks
1
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