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215 Open 1,233 Closed
215 Open 1,233 Closed
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Issues list

mulliken_charge.cpp needs some refactorization Plans Plan to do something
#4170 opened May 15, 2024 by hongriTianqi
8 tasks
@hongriTianqi
Compiling the GPU version of ABACUS takes too much time GPU & DCU & HPC GPU and DCU and HPC related any issues
#4169 opened May 14, 2024 by dzzz2001
9 tasks
Hybrid functional HSE cannot give right bandgap of Si EXX Related to EXX, this label is designed only for PeizeLin and Maki49
#4168 opened May 14, 2024 by Luc1anoo
16 tasks
@PeizeLin
1
Remove GlobaC in module_gint The Absolute Zero Reduce the "entropy" of the code to 0
#4163 opened May 13, 2024 by A-006
5 of 8 tasks
1
@A-006
Do not use large extra memory in force.cpp High Priority Bugs which needs to be fixed ASAP.
#4162 opened May 13, 2024 by dyzheng
9 tasks
@grysgreat
Do not allocate extra memory in function hamilt::diago_PAO_in_pw_k2 High Priority Bugs which needs to be fixed ASAP.
#4161 opened May 13, 2024 by dyzheng
14 tasks
@dyzheng
The Absolute Zero Plan The Absolute Zero Reduce the "entropy" of the code to 0
#4159 opened May 13, 2024 by mohanchen
8 tasks
@mohanchen
DCU OOM in INIT BASIS and SCF High Priority Bugs which needs to be fixed ASAP.
#4158 opened May 13, 2024 by pxlxingliang
16 tasks
@dyzheng
1
A same deepks example can converge in the old version, but not in the new version Performance Run slowly or cannot converge
#4156 opened May 12, 2024 by xuan112358
16 tasks
@WHUweiqingzhou
2
Downsampling the k points in K_Vectors, required in the planewave hybrid functional calculation Features Needed The features are indeed needed, and developers should have sophisticated knowledge Plans Plan to do something
#4155 opened May 12, 2024 by Flying-dragon-boxing
14 tasks
@mohanchen
Hard to reach convergence of some magnetic elements & abnormal slow of ABACUS scf calculations Performance Run slowly or cannot converge
#4149 opened May 10, 2024 by ZLI-afk
9 tasks
@WHUweiqingzhou @pxlxingliang
8
Can ABACUS work with VASP-kit or ATOM-kit, I want a documentation to learn how to use Questions Raise your quesiton! We will answer it.
#4145 opened May 10, 2024 by dyzheng
1 of 10 tasks
@WHUweiqingzhou
Can ABACUS do rt-TDDFT calculation, I need a notebook to learn how to use. Features Needed The features are indeed needed, and developers should have sophisticated knowledge
#4144 opened May 10, 2024 by dyzheng
1 of 10 tasks
@AsTonyshment
DCU cg single precision bug: Unexpected hipBLAS Error GPU & DCU & HPC GPU and DCU and HPC related any issues
#4143 opened May 10, 2024 by pxlxingliang
16 tasks
@denghuilu
Issue in cell-relax calculation Performance Run slowly or cannot converge
#4140 opened May 9, 2024 by kogareru1z
1 of 10 tasks
@pxlxingliang
4
SOC: not converged in some cases Performance Run slowly or cannot converge
#4139 opened May 9, 2024 by hongriTianqi
16 tasks
@WHUweiqingzhou
2
DCU ABACUS compiled with dtk23 will lead to the slower initialization of ABACUS GPU & DCU & HPC GPU and DCU and HPC related any issues
#4135 opened May 9, 2024 by pxlxingliang
9 tasks
@denghuilu
1
Unable to end running the example (abacus development 3.6.2/examples/onlinear/BCC.Fe_NC_deltaspin) on abacus 3.6.2 Delta Spin Related to DeltaSpin
#4126 opened May 8, 2024 by kaiqi-wang
1 of 10 tasks
@hongriTianqi
Error: "nbands < ncpus" Feature Discussed The features will be discussed first but will not be implemented soon
#4125 opened May 8, 2024 by smclucky
16 tasks
@WHUweiqingzhou
1
OutOfMemeryError running 16 atoms system sci on 4 * DCU node GPU & DCU & HPC GPU and DCU and HPC related any issues
#4124 opened May 8, 2024 by ZLI-afk
9 tasks
@denghuilu @dyzheng
6
Bugs: the results of different parallel schemes vary greatly for LCAO calculations High Priority Bugs which needs to be fixed ASAP.
#4122 opened May 8, 2024 by WHUweiqingzhou
16 tasks
@WHUweiqingzhou @dyzheng
6
ASE use symmetry in relax, get the result faster than ABACUS Symmetry This issue is related to symmetry, this label is designed only for Maki49
#4121 opened May 8, 2024 by ieiue
16 tasks
@maki49
2
Good Pseudopotentials and orbitals are needed for the element Gd (How to choose pseudopotential from ABACUS Pseudopot-Nao Square) Useful Information Useful information for others to learn/study
#4120 opened May 8, 2024 by hongriTianqi
14 tasks
@kirk0830
1
Wrong output Matrices in tddft calculation High Priority Bugs which needs to be fixed ASAP.
#4117 opened May 8, 2024 by ESROAMER
16 tasks
1
@AsTonyshment
4
out_mat_dh will lead to different result with MPI-1core with MPI-4core High Priority Bugs which needs to be fixed ASAP.
#4111 opened May 7, 2024 by dyzheng
16 tasks
@dyzheng
2
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