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GPU bugs: failed to output some results of wfc on GPU

BugsBugs that only solvable with sufficient knowledge of DFTBugs that only solvable with sufficient knowledge of DFT

GPU & DCU & HPCGPU and DCU and HPC related any issuesGPU and DCU and HPC related any issues

Input&OutputSuitable for coders without knowing too many DFT detailsSuitable for coders without knowing too many DFT details

Unit Tests/Integreate TestsIssues/PR related to unit tests and integrate testsIssues/PR related to unit tests and integrate tests

Status: Open.

#6365 In deepmodeling/abacus-develop;

· Cstandardlib opened on Jul 8, 2025

Negative beta rho in DFT calculations

Input&OutputSuitable for coders without knowing too many DFT detailsSuitable for coders without knowing too many DFT details

QuestionsRaise your quesiton! We will answer it.Raise your quesiton! We will answer it.

Status: Open.

#6128 In deepmodeling/abacus-develop;

· BariumOxide13716 opened on Apr 8, 2025

Set <code>bfgs_trad</code> as <code>bfgs</code> and other suggestions for <code>relax_method</code>

GeometryRelaxationIssues related to geometry relaxationIssues related to geometry relaxation

Input&OutputSuitable for coders without knowing too many DFT detailsSuitable for coders without knowing too many DFT details

Status: Open.

#5981 In deepmodeling/abacus-develop;

· QuantumMisaka opened on Mar 8, 2025

Request: please improve the user-friendliness of trajectory-outputting functionality

Input&OutputSuitable for coders without knowing too many DFT detailsSuitable for coders without knowing too many DFT details

Status: Open.

#5235 In deepmodeling/abacus-develop;

· kirk0830 opened on Oct 15, 2024

<code>ASE-ABACUS</code> cannot recognize the <code>mag angle1 angle2</code> in STRU file

Input&OutputSuitable for coders without knowing too many DFT detailsSuitable for coders without knowing too many DFT details

Status: Open.

#4203 In deepmodeling/abacus-develop;

· xdzhu opened on May 22, 2024

<code>vl_in_h 0</code> causes <code>segmentation fault: address not mapped</code> error for <code>basis_type lcao</code> calculation

Input&OutputSuitable for coders without knowing too many DFT detailsSuitable for coders without knowing too many DFT details

Status: Open.

#3379 In deepmodeling/abacus-develop;

· kirk0830 opened on Dec 25, 2023

Q: How to restart ABACUS calculation properly?

Compile & CICD & Docs & DependenciesIssues related to compiling ABACUSIssues related to compiling ABACUS

Input&OutputSuitable for coders without knowing too many DFT detailsSuitable for coders without knowing too many DFT details

Status: Open.

#3230 In deepmodeling/abacus-develop;

· QuantumMisaka opened on Nov 18, 2023