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39 Open 266 Closed
39 Open 266 Closed
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Issues list

Help for deepmd for MD simulation
#1684 opened Dec 5, 2024 by Luckaswww
2
error when run task 08 that is OSError: Unable to synchronously open file (file signature not found) wontfix This will not be worked on
#1682 opened Dec 3, 2024 by Luckaswww
6
[BUG] something wrong in dpgen init bulk bug Something isn't working
#1681 opened Dec 2, 2024 by Normadp
[BUG] FP Process Restart Creates New Directory Instead of Continuing Unfinished Tasks bug Something isn't working
#1678 opened Nov 23, 2024 by chenggoj
1
[BUG] Issue with DP-GEN workflow for DPA-2 model using PyTorch backend bug Something isn't working
#1654 opened Oct 8, 2024 by chenggoj
5
I am using dpgen to train an ensemble of 4 models with 3,000,000 steps, but the hpc cluster queue only gives me time for 2 days how can I restart the training from the last step 1,000,000
#1645 opened Sep 29, 2024 by marcog2020460
3
[BUG] Unable to calculate relative force deviation. bug Something isn't working
#1639 opened Sep 18, 2024 by xiaohe-njust
1
[BUG] After dpgen is installed, "dpgen-h" indicates an error in the pyamtgen path bug Something isn't working
#1634 opened Sep 9, 2024 by YXT996
1
Fail to generate initial structures.
#1630 opened Sep 2, 2024 by tianshuliu86
1
how does init_surf link the lattice parameters obtained from init_bulk
#1611 opened Aug 3, 2024 by wangsl613
1
DPGEN encountered the following issue while exploring the potential function of the PtNiMoO system. wontfix This will not be worked on
#1605 opened Jul 29, 2024 by wangsl613
2
IndexError: list index out of range duplicate This issue or pull request already exists
#1595 opened Jul 18, 2024 by xwxwshi
1
ZBL CNtable.txt could not be found awaiting response
#1583 opened Jul 10, 2024 by MingjieWen
7
About running dpgen autotest on WSL ubuntu. Error occured
#1549 opened May 14, 2024 by NKJunhongLi
[Feature Request] problem with “maybe the model devi is nan”
#1543 opened May 9, 2024 by flamingoXu
2
About dpgen autotest: a bug exist when using the process of automatically getting configure from MaterialsProject [BUG] bug Something isn't working
#1497 opened Mar 28, 2024 by NKJunhongLi
[BUG] 训练出来的模型，lammps第一次结合正常，第二次结合有问题
#1493 opened Mar 25, 2024 by wangyi01
2
[BUG] UnboundLocalError: cannot access local variable 'stepbindex' where it is not associated with a value bug Something isn't working
#1490 opened Mar 22, 2024 by PenguinW1105
@njzjz
3
[BUG]Function make_abacus_scf_stru() has no magnetic moment determination. bug Something isn't working
#1487 opened Mar 19, 2024 by metaliuyong
@pxlxingliang
1
whether or not that one can skip 'cell_type' setting in dpgen init_bulk
#1479 opened Mar 6, 2024 by Sanwen-Yang
the error that ’ raise RuntimeError( RuntimeError: md traj iter.000002/01.model_devi/task.000.000000 frame 1 with f devi nan does not belong to either accurate, candidiate and failed, it should not happen‘ occur when dpgen run
#1460 opened Jan 24, 2024 by 12jscvb
6
[BUG] DP-GEN deleted the 'remote_work' folder too fast to continue the workflow: AssertionError: Error: can not find /local_directory/***/confs/eos_00/OUT.ABACUS/running_cell-relax.log bug Something isn't working
#1456 opened Jan 16, 2024 by xdzhu
Thermal conductivity：Dpmd+EMD(Green-kubo)
#1437 opened Dec 26, 2023 by Suyoung999999999
[Feature Request] use MultiSystems in post_fp_vasp function enhancement New feature or request
#1246 opened Jun 16, 2023 by erichuangyf
2
[Feature Request] _Accelerate fp calculation part by splitting it into two steps enhancement New feature or request
#1198 opened Apr 28, 2023 by ZHANG-JINYU-1994
1
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