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122 Open 1,910 Closed
122 Open 1,910 Closed
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Issues list

soc energy band can not be cal correctly!
#5585 opened Nov 23, 2024 by woyolo990422
16 tasks
Bug: init_wfc nao doesn't support gpu Bugs Bugs that only solvable with sufficient knowledge of DFT
#5578 opened Nov 23, 2024 by dzzz2001
16 tasks
1
format issues in online manual Compile & CICD & Docs & Dependencies Issues related to compiling ABACUS
#5575 opened Nov 22, 2024 by BariumOxide13716
1 of 9 tasks
@xuan112358
1
Bugs: relaxation calculations is hard to converge GeometryRelaxation Issues related to geometry relaxation
#5573 opened Nov 22, 2024 by WHUweiqingzhou
16 tasks
1
Bugs: Equivalent configurations yield different results after relaxation calculations. GeometryRelaxation Issues related to geometry relaxation
#5572 opened Nov 22, 2024 by WHUweiqingzhou
16 tasks
Bug: memory leak detected in integrated test case 312_NO_GO_wfc_get_wf Bugs Bugs that only solvable with sufficient knowledge of DFT
#5566 opened Nov 22, 2024 by kirk0830
16 tasks
Compiling failure when DEBUG_INFO=ON due to module_vdw Bugs Bugs that only solvable with sufficient knowledge of DFT Compile & CICD & Docs & Dependencies Issues related to compiling ABACUS
#5555 opened Nov 21, 2024 by dyzheng
16 tasks
@dyzheng
1
unregular behaviour while using different cpus combination Large Systems Issues related to large-size systems Questions Raise your quesiton! We will answer it.
#5548 opened Nov 21, 2024 by JTaozhang
16 tasks
@YuLiu98
2
ABACUS tool support CPU with ARM64 and NPU with Huawei 910B? Compile & CICD & Docs & Dependencies Issues related to compiling ABACUS Questions Raise your quesiton! We will answer it.
#5537 opened Nov 20, 2024 by somunslotus1
1 of 10 tasks
2
Bandgap values are not the same in running_nscf.log and energy band diagram Being Solved Questions Raise your quesiton! We will answer it.
#5527 opened Nov 19, 2024 by yycx1111
16 tasks
@ErjieWu
2
HSE calculations encountered "corrupted size vs. prev_size" EXX and lr-TDDFT Related to EXX or lr-TDDFT
#5520 opened Nov 18, 2024 by Chentao168
16 tasks
2
Bug: Build Fail while install with OneAPI 2025.0.0 and some add-on plugins in using toolchain Bugs Bugs that only solvable with sufficient knowledge of DFT Compile & CICD & Docs & Dependencies Issues related to compiling ABACUS EXX and lr-TDDFT Related to EXX or lr-TDDFT
#5518 opened Nov 18, 2024 by QuantumMisaka
16 tasks
3
ABACUS 3.8.2 gave errors in SCF calculations that were not encountered in ABACUS 3.5.3. Questions Raise your quesiton! We will answer it.
#5502 opened Nov 15, 2024 by yycx1111
16 tasks
3
What's the purpose of Testing directory? Questions Raise your quesiton! We will answer it.
#5501 opened Nov 15, 2024 by Cstandardlib
1 of 10 tasks
2
Davidson GPU has bug Bugs Bugs that only solvable with sufficient knowledge of DFT Diago Issues related to diagonalizaiton methods GPU & DCU & HPC GPU and DCU and HPC related any issues
#5497 opened Nov 15, 2024 by Qianruipku
16 tasks
4
Bug: function WARNING_QUIT does not finalize the MPI processes correctly Bugs Bugs that only solvable with sufficient knowledge of DFT
#5486 opened Nov 14, 2024 by dyzheng
16 tasks
1
2
Need subspace diagonalization with parallel Diago Issues related to diagonalizaiton methods
#5480 opened Nov 14, 2024 by pxlxingliang
14 tasks
1
@pxlxingliang
1
Request: Charge backup in the middle of SCF for hard SCF process Being Solved Input&Output Suitable for coders without knowing too many DFT details
#5479 opened Nov 13, 2024 by QuantumMisaka
14 tasks
@YuLiu98
3
Code: Increase target code coverage ratio up to 80% before v3.9.0 Compile & CICD & Docs & Dependencies Issues related to compiling ABACUS
#5470 opened Nov 13, 2024 by WHUweiqingzhou
8 tasks
@WHUweiqingzhou
1
Bug: ABACUS LCAO memory cost increases during SCF iteration and causes OOM Bugs Bugs that only solvable with sufficient knowledge of DFT
#5465 opened Nov 12, 2024 by kirk0830
16 tasks
2
S matrix should not cost memory when using Norm-conserving Pseudopotentials(NCPP) Features Needed The features are indeed needed, and developers should have sophisticated knowledge
#5463 opened Nov 12, 2024 by Qianruipku
14 tasks
@Cstandardlib
Return value is 0 after calculation error Being Solved Refactor Refactor ABACUS codes
#5459 opened Nov 12, 2024 by Angel-Jia
16 tasks
1
@pxlxingliang
Rewrite test for HSolver The Absolute Zero Reduce the "entropy" of the code to 0
#5442 opened Nov 8, 2024 by Cstandardlib
9 tasks
1
Relax calculation cannot manage the memory very well GeometryRelaxation Issues related to geometry relaxation Memory Memory issues
#5441 opened Nov 8, 2024 by gradencapaldi
6 of 16 tasks
1
BUG: spin-polarized CG cell-relax blast for Fe3C bulk Bugs Bugs that only solvable with sufficient knowledge of DFT GeometryRelaxation Issues related to geometry relaxation
#5433 opened Nov 7, 2024 by QuantumMisaka
16 tasks
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