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98 Open 2,073 Closed
98 Open 2,073 Closed
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Issues list

Docs: ABACUS Pseudopotential Nao Square data will be updated in several weeks Features Needed The features are indeed needed, and developers should have sophisticated knowledge
#5995 opened Mar 11, 2025 by kirk0830
1 of 9 tasks
Code Quality: yet another blas in elpa solver GPU & DCU & HPC GPU and DCU and HPC related any issues
#5990 opened Mar 10, 2025 by Cstandardlib
8 tasks
@Critsium-xy
1
The efficiency of FFT with OpenMP actually decreases in multi-core scenario Performance Issues related to fail running ABACUS
#5986 opened Mar 9, 2025 by A-006
3 of 9 tasks
[Bug] ABACUS LCAO-genelpa crash in large system Bugs Bugs that only solvable with sufficient knowledge of DFT Large Systems Issues related to large-size systems Performance Issues related to fail running ABACUS
#5983 opened Mar 9, 2025 by QuantumMisaka
8 tasks
Error while using AMD AOCC/AOCL to build ABACUS Compile & CICD & Docs & Dependencies Issues related to compiling ABACUS GPU & DCU & HPC GPU and DCU and HPC related any issues Questions Raise your quesiton! We will answer it.
#5982 opened Mar 8, 2025 by QuantumMisaka
1 of 10 tasks
10
Set bfgs_trad as bfgs and other suggestions for relax_method GeometryRelaxation Issues related to geometry relaxation Input&Output Suitable for coders without knowing too many DFT details
#5981 opened Mar 8, 2025 by QuantumMisaka
8 tasks
out_wfc_r fails on GPU Bugs Bugs that only solvable with sufficient knowledge of DFT Input&Output Suitable for coders without knowing too many DFT details
#5975 opened Mar 7, 2025 by Cstandardlib
16 tasks
@Cstandardlib
1
Bug/Question: ABACUS fails to run with AddressSanitizer due to shadow memory conflict Bugs Bugs that only solvable with sufficient knowledge of DFT Compile & CICD & Docs & Dependencies Issues related to compiling ABACUS Questions Raise your quesiton! We will answer it.
#5966 opened Mar 6, 2025 by AsTonyshment
1
R2SCAN crash when mixing_tau true Bugs Bugs that only solvable with sufficient knowledge of DFT
#5961 opened Mar 5, 2025 by QuantumMisaka
16 tasks
Unify AI Model Interfaces DeePKS Issues related to the DeePKS Feature Discussed The features will be discussed first but will not be implemented soon
#5951 opened Mar 3, 2025 by sunliang98
14 tasks
There are many Failed UTs in CI test related to klist and vdw Bugs Bugs that only solvable with sufficient knowledge of DFT
#5950 opened Mar 3, 2025 by dyzheng
16 tasks
Bug: example in examples/spin_polarized/ATOM fails Questions Raise your quesiton! We will answer it.
#5948 opened Mar 3, 2025 by kirk0830
16 tasks
1
2
In SOC calculations, the atomic magnetic moments can be set according to the structure file. Questions Raise your quesiton! We will answer it.
#5939 opened Mar 1, 2025 by zjdai
14 tasks
1
Bug: cannot do calculation on Al crystal with smearing_method fixed Bugs Bugs that only solvable with sufficient knowledge of DFT
#5935 opened Feb 27, 2025 by kirk0830
16 tasks
@Qianruipku
2
The speed up of LCAO GPU is bad GPU & DCU & HPC GPU and DCU and HPC related any issues
#5932 opened Feb 25, 2025 by pxlxingliang
5
Incompatible with PyTorch 2.6 DeePKS Issues related to the DeePKS Questions Raise your quesiton! We will answer it.
#5921 opened Feb 21, 2025 by njzjz
16 tasks
@sunliang98 @haozhihan
Feature request: local density of states (LDOS) analysis Features Needed The features are indeed needed, and developers should have sophisticated knowledge Refactor Refactor ABACUS codes
#5915 opened Feb 21, 2025 by kirk0830
14 tasks
@Chentao168
1
Problems encountered in DFT+U+noncollinear spin calculation of NSCF or SCF non-collinear/SOC Issues related to SOC
#5899 opened Feb 14, 2025 by GRCaaaa
16 tasks
Feature: Implement k-point Continuity Wavefunction Initialization Strategy Features Needed The features are indeed needed, and developers should have sophisticated knowledge
#5888 opened Feb 8, 2025 by jieli-matrix
14 tasks
1
elpa-gpu compilation error Questions Raise your quesiton! We will answer it.
#5872 opened Jan 19, 2025 by tang070205
1 of 10 tasks
@haozhihan
2
Discussion: large discrepency on EOS of CrO3 system yielded when changing pseudo_rcut and pseudo_mesh Performance Issues related to fail running ABACUS
#5832 opened Jan 8, 2025 by kirk0830
16 tasks
@Cstandardlib
2
spin contamination EXX and lr-TDDFT Related to EXX or lr-TDDFT Questions Raise your quesiton! We will answer it.
#5804 opened Jan 3, 2025 by lyf-ustc
4
find symmetry for magnetic calculation Symmetry This issue is related to symmetry
#5803 opened Jan 3, 2025 by lyf-ustc
2 of 16 tasks
1
Crashing at the end of the scf calculation Bugs Bugs that only solvable with sufficient knowledge of DFT DFT+U Issues related to DFT plus U function
#5800 opened Jan 3, 2025 by summitmoon
9 tasks
@dyzheng
2
BAD TERMINATION when output Questions Raise your quesiton! We will answer it.
#5796 opened Jan 2, 2025 by Shen-Zhen-Xiong
16 tasks
@YuLiu98
5
ProTip! no:milestone will show everything without a milestone.