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211 Open 1,399 Closed
211 Open 1,399 Closed
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Issues list

hefei-namd Questions Raise your quesiton! We will answer it.
#4556 opened Jul 3, 2024 by yht-0816
1 of 10 tasks
Performance optimization for module_pw. Performance Issues related to fail running ABACUS
#4554 opened Jul 3, 2024 by grysgreat
9 tasks
1
Use gint_kernel_vlocal() function with an incorrect list of arguments
#4551 opened Jul 3, 2024 by LiuXiaohui123321
Kpoints parallel diagonalization in needed in lcao basis to increase efficiency
#4550 opened Jul 3, 2024 by hongriTianqi
14 tasks
1
Bug: buffer-overflow in 207_NO_KP_OXC
#4545 opened Jul 3, 2024 by WHUweiqingzhou
16 tasks
1
1
Latest Intel image building error
#4543 opened Jul 3, 2024 by caic99
16 tasks
2
Bug: Null appears in OUT.ABACUS/running.log induced by #4515
#4540 opened Jul 2, 2024 by WHUweiqingzhou
16 tasks
1
The number of SCF convergence steps during MD increases when using new version of deepks code Performance Issues related to fail running ABACUS
#4525 opened Jun 29, 2024 by xuan112358
9 tasks
1
@dyzheng
3
Cuda building error and warnings GPU & DCU & HPC GPU and DCU and HPC related any issues
#4510 opened Jun 28, 2024 by caic99
16 tasks
1
@dzzz2001
2
GlobalV and INPUT should be refactored. The Absolute Zero Reduce the "entropy" of the code to 0
#4507 opened Jun 27, 2024 by Qianruipku
8 tasks
@Qianruipku
Refactor: numerical_basis functions are highly memory-demanding Numerical Atomic Orbitals Numerical Atomic Orbitals for LCAO calculations
#4490 opened Jun 26, 2024 by kirk0830
9 tasks
@kirk0830
(Possible) Bug: memory leak detected by clang-tidy in read_wfc_nao.cpp file Bug Report (Exclude input and output) Bugs that only solvable with sufficient knowledge of DFT
#4482 opened Jun 25, 2024 by kirk0830
16 tasks
@kirk0830
out_pot does not work for nscf calculations Features Needed The features are indeed needed, and developers should have sophisticated knowledge
#4481 opened Jun 24, 2024 by wenfei-li
16 tasks
@hongriTianqi
Code does not exit even when errors are encountered Input&Output Suitable for coders without knowing too many DFT details
#4480 opened Jun 24, 2024 by wenfei-li
16 tasks
1
@pxlxingliang
1
ERROR when using ASE-ABACUS with different ABACUS version Bug Report (Exclude input and output) Bugs that only solvable with sufficient knowledge of DFT
#4471 opened Jun 22, 2024 by Luc1anoo
16 tasks
@1041176461
4
SOC "Caught signal 11 (Segmentation fault: address not mapped to object at address 0x10)" error Bug Report (Exclude input and output) Bugs that only solvable with sufficient knowledge of DFT
#4459 opened Jun 21, 2024 by 1041176461
16 tasks
@dyzheng
Why the charge file .cube still output when i set out_chg=0? Input&Output Suitable for coders without knowing too many DFT details
#4455 opened Jun 20, 2024 by xdzhu
16 tasks
@pxlxingliang
2
diffierent output between v3.5.1(gnu) v3.6.5(intel) Input&Output Suitable for coders without knowing too many DFT details
#4448 opened Jun 20, 2024 by lgjsws
16 tasks
@pxlxingliang
8
Bug: ABACUS esolver_type lj is not implemented correctly thus not practically usable Bug Report (Exclude input and output) Bugs that only solvable with sufficient knowledge of DFT
#4444 opened Jun 20, 2024 by kirk0830
16 tasks
@YuLiu98
large amount of irrelevant GPU memory allocation was observed when running GPU LCAO. GPU & DCU & HPC GPU and DCU and HPC related any issues
#4442 opened Jun 19, 2024 by goodchong
16 tasks
@mohanchen
1
The stress calculation is OOM when set kpar > 1 Features Needed The features are indeed needed, and developers should have sophisticated knowledge
#4432 opened Jun 19, 2024 by pxlxingliang
9 tasks
@dyzheng @pxlxingliang
5
Need to refactor istate_envelope.cpp and add INPUT parameter bands_to_print for get_wf calculation The Absolute Zero Reduce the "entropy" of the code to 0
#4412 opened Jun 17, 2024 by AsTonyshment
14 tasks
@AsTonyshment
Refactor: Remove DiagoDavid's Dependency on Psi Data Type The Absolute Zero Reduce the "entropy" of the code to 0
#4404 opened Jun 16, 2024 by Cstandardlib
6 of 8 tasks
@Cstandardlib
Refactor: remove LCAO_Matrix class The Absolute Zero Reduce the "entropy" of the code to 0
#4364 opened Jun 13, 2024 by WHUweiqingzhou
8 tasks
@WHUweiqingzhou
Refactor&Feature: present precision of wavefunction output to file WFC_NAO_K*/LOWF_K_*.txt is ridiculous Input&Output Suitable for coders without knowing too many DFT details
#4363 opened Jun 13, 2024 by kirk0830
8 tasks
@pxlxingliang
2
ProTip! Updated in the last three days: updated:>2024-06-30.