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167 Open 1,769 Closed
167 Open 1,769 Closed
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Issues list

There are some failed examples and fatal errors When use Autotest.sh Questions Raise your quesiton! We will answer it.
#5317 opened Oct 21, 2024 by sunlight905
1 of 10 tasks
Makefile cannot compile with mpicxx and not using OPENMP
#5315 opened Oct 21, 2024 by Qianruipku
16 tasks
1
BAD Bot: Unexpected indent behaviour of pre-commit Compile & CICD & Docs & Dependencies Issues related to compiling ABACUS
#5311 opened Oct 20, 2024 by Cstandardlib
16 tasks
1
blas_connector Warning: control reaches end of non-void function
#5310 opened Oct 20, 2024 by Cstandardlib
8 tasks
MD parallel run error
#5309 opened Oct 20, 2024 by 1041176461
16 tasks
@YuLiu98
1
Bug: endless oscillation of relaxation of Na dimer with SG15 pseudopotential
#5308 opened Oct 19, 2024 by kirk0830
16 tasks
Bug: nspin=4 not working with device=gpu Bugs (Exclude input and output) Bugs that only solvable with sufficient knowledge of DFT GPU & DCU & HPC GPU and DCU and HPC related any issues non-collinear+SOC Issues related to SOC
#5306 opened Oct 18, 2024 by AsTonyshment
16 tasks
@dzzz2001
Large memory required for nscf calculation Large-size Systems Issues related to large-size systems Performance Issues related to fail running ABACUS
#5302 opened Oct 18, 2024 by iduygnay
9 tasks
4
GPU support for SDFT GPU & DCU & HPC GPU and DCU and HPC related any issues
#5296 opened Oct 18, 2024 by Qianruipku
14 tasks
@Qianruipku
Feature: Unit test within Spack install Compile & CICD & Docs & Dependencies Issues related to compiling ABACUS
#5282 opened Oct 17, 2024 by yizeyi18
14 tasks
@QuantumMisaka
1
Output of total threads used in stdout Being Solved Issues that are considered to be solved. Refactor Refactor ABACUS codes
#5280 opened Oct 17, 2024 by QuantumMisaka
1 of 14 tasks
1
@A-006
1
Feature: Add Cell for pyabacus pyabacus ABACUS used with Python
#5248 opened Oct 16, 2024 by jieli-matrix
17 tasks
1
The weekly test of interface to DPGEN is failed at 20241016 Compile & CICD & Docs & Dependencies Issues related to compiling ABACUS
#5241 opened Oct 16, 2024 by pxlxingliang
9 tasks
Request: the default value of relax_nmax is unreasonable Input&Output Suitable for coders without knowing too many DFT details
#5236 opened Oct 15, 2024 by kirk0830
14 tasks
@WHUweiqingzhou
Request: please improve the user-friendliness of trajectory-outputting functionality Input&Output Suitable for coders without knowing too many DFT details
#5235 opened Oct 15, 2024 by kirk0830
14 tasks
"some processor has no bands-row-blocks." occurs when i set nbands and ocp for constraint-DFT Bugs (Exclude input and output) Bugs that only solvable with sufficient knowledge of DFT
#5234 opened Oct 15, 2024 by Jweijian
16 tasks
2
Is it better to have a module-wise device tag for each multi-device suported class? GPU & DCU & HPC GPU and DCU and HPC related any issues
#5231 opened Oct 14, 2024 by maki49
3
Bug: memory leak detected in integrated test cases 601_NO_TDDFT_CO, 601_NO_TDDFT_CO_occ, 601_NO_TDDFT_graphene_kpoint Being Solved Issues that are considered to be solved. Bugs (Exclude input and output) Bugs that only solvable with sufficient knowledge of DFT
#5229 opened Oct 14, 2024 by kirk0830
16 tasks
@AsTonyshment
2
Bug: memory leak detected in integrated test case 120_PW_KP_MD_MSST Bugs (Exclude input and output) Bugs that only solvable with sufficient knowledge of DFT
#5228 opened Oct 14, 2024 by kirk0830
16 tasks
@YuLiu98
DCU tests failed GPU & DCU & HPC GPU and DCU and HPC related any issues
#5214 opened Oct 11, 2024 by pxlxingliang
9 tasks
@WHUweiqingzhou
1
Request: further refactor on out-dated functions write_chg_r_1 and those similar Input&Output Suitable for coders without knowing too many DFT details The Absolute Zero Reduce the "entropy" of the code to 0
#5209 opened Oct 8, 2024 by kirk0830
@AsTonyshment
3
ASE-ABACUS can't read from v3.7.1 Bugs (Exclude input and output) Bugs that only solvable with sufficient knowledge of DFT
#5200 opened Oct 1, 2024 by MoseyQAQ
16 tasks
@pxlxingliang
3
Request: further refactor the cube file i/o functions Input&Output Suitable for coders without knowing too many DFT details The Absolute Zero Reduce the "entropy" of the code to 0
#5191 opened Sep 29, 2024 by kirk0830
8 tasks
1
dav-subspace diagonization error Being Solved Issues that are considered to be solved. Diago Issues related to diagonalizaiton methods
#5186 opened Sep 27, 2024 by pxlxingliang
16 tasks
@haozhihan
1
Docs: we need a doc to introduce fixed-potential method Compile & CICD & Docs & Dependencies Issues related to compiling ABACUS
#5161 opened Sep 23, 2024 by WHUweiqingzhou
1 of 9 tasks
@WHUweiqingzhou
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