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A notice is missing
GPU & DCU & HPC
GPU and DCU and HPC related any issues
#5321
opened Oct 22, 2024 by
dzzz2001
16 tasks
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
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
blas_connector Warning: control reaches end of non-void function
The Absolute Zero
Reduce the "entropy" of the code to 0
#5310
opened Oct 20, 2024 by
Cstandardlib
8 tasks
MD parallel run error
Bugs (Exclude input and output)
Bugs that only solvable with sufficient knowledge of DFT
#5309
opened Oct 20, 2024 by
1041176461
16 tasks
Bug: endless oscillation of relaxation of Na dimer with SG15 pseudopotential
Performance
Issues related to fail running ABACUS
#5308
opened Oct 19, 2024 by
kirk0830
16 tasks
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
GPU support for SDFT
GPU & DCU & HPC
GPU and DCU and HPC related any issues
#5296
opened Oct 18, 2024 by
Qianruipku
14 tasks
Feature: Unit test within Spack install
Compile & CICD & Docs & Dependencies
Issues related to compiling ABACUS
#5282
opened Oct 17, 2024 by
yizeyi18
14 tasks
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
Feature: Add Cell for pyabacus
pyabacus
ABACUS used with Python
#5248
opened Oct 16, 2024 by
jieli-matrix
17 tasks
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
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
Is it better to have a module-wise GPU and DCU and HPC related any issues
device
tag for each multi-device suported class?
GPU & DCU & HPC
#5231
opened Oct 14, 2024 by
maki49
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
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
DCU tests failed
GPU & DCU & HPC
GPU and DCU and HPC related any issues
#5214
opened Oct 11, 2024 by
pxlxingliang
9 tasks
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
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
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
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
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
Atomic neighborhood construction is computationally inefficient for large-scale systems
Performance
Issues related to fail running ABACUS
#5124
opened Sep 18, 2024 by
LiuXiaohui123321
9 tasks
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