forked from abacusmodeling/abacus-develop
-
Notifications
You must be signed in to change notification settings - Fork 245
All issues
Issue creation is restricted in this repository
Issues
is:issue state:open
is:issue state:open
Search results
Slow Level 1/2 BLAS on device DSP
GPU & DCU & HPCGPU and DCU and HPC related any issuesGPU and DCU and HPC related any issuesPerformanceIssues related to fail running ABACUSIssues related to fail running ABACUSUseful InformationUseful information for others to learn/studyUseful information for others to learn/studyStatus: Open.#7910 In deepmodeling/abacus-develop;[Bug] Default yukawa_lambda can produce NaN U/J from tiny negative charge density
BugsBugs that only solvable with sufficient knowledge of DFTBugs that only solvable with sufficient knowledge of DFTDFT+UIssues related to DFT plus U functionIssues related to DFT plus U functionLong-Time Support (LTS)Issues related to LTS versionIssues related to LTS versionStatus: Open.#7905 In deepmodeling/abacus-develop;Structural relaxation does not converge for CO/Rh(111) although SCF converges
QuestionsRaise your quesiton! We will answer it.Raise your quesiton! We will answer it.Status: Open.#7881 In deepmodeling/abacus-develop;- Status: Open.#7877 In deepmodeling/abacus-develop;
[Perf] Low weak-scaling efficiency for DPMD on Sugon DCUs with abacus
PerformanceIssues related to fail running ABACUSIssues related to fail running ABACUSStatus: Open.#7872 In deepmodeling/abacus-develop;[Bug] DeepH loses H-only edges and cannot read current ABACUS CSR/get_s output
BugsBugs that only solvable with sufficient knowledge of DFTBugs that only solvable with sufficient knowledge of DFTInput&OutputSuitable for coders without knowing too many DFT detailsSuitable for coders without knowing too many DFT detailsInterfacesInterfaces with other packagesInterfaces with other packagesMachine Learning & AIIssues related to AIIssues related to AIStatus: Open.#7871 In deepmodeling/abacus-develop;- Status: Open.#7860 In deepmodeling/abacus-develop;
DMK->DMR inverse Fourier sign (e^{-ikR}) and frozen density-matrix conventions for LCAO force/stress
Feature DiscussedThe features will be discussed first but will not be implemented soonThe features will be discussed first but will not be implemented soonStatus: Open.#7834 In deepmodeling/abacus-develop;How can I accelerate an LCAO-based NVT molecular dynamics calculation on CPU nodes?
QuestionsRaise your quesiton! We will answer it.Raise your quesiton! We will answer it.Status: Open.#7826 In deepmodeling/abacus-develop;Normalize relax_method as a scalar option and deprecate two-token values
Input&OutputSuitable for coders without knowing too many DFT detailsSuitable for coders without knowing too many DFT detailsStatus: Open.#7822 In deepmodeling/abacus-develop;[Bug]
Eigenvalues are too largeduring calculation of SiC withdav_subspaceBugsBugs that only solvable with sufficient knowledge of DFTBugs that only solvable with sufficient knowledge of DFTPerformanceIssues related to fail running ABACUSIssues related to fail running ABACUSStatus: Open.#7815 In deepmodeling/abacus-develop;[Bug] nb2d=0 can silently fall back to block size 1 and hang cuBLASMp TRSM in multi-GPU RT-TDDFT
GPU & DCU & HPCGPU and DCU and HPC related any issuesGPU and DCU and HPC related any issuesPerformanceIssues related to fail running ABACUSIssues related to fail running ABACUSStatus: Open.#7799 In deepmodeling/abacus-develop;