GPU validation

Workflow runs for GPU validation

• Feature: LR-TDDFT analytical forces (gradients) by Z-vector method and excited-state geometry relaxation

  skipped:
  GPU validation#576:Issue comment#8069 (comment)createdbymaki49
  Oct 18, 202610s
  More actions for workflow run 576

• feat(lcao): add optional LibRI GPU contractions through DDLA

  skipped:
  GPU validation#575:Issue comment#8169 (comment)createdbyuserchba
  Oct 18, 20262s
  More actions for workflow run 575

• Refactor(input): make relax_method a scalar option

  skipped:
  GPU validation#574:Issue comment#8168 (comment)createdbyStardust0831
  Oct 18, 20262s
  More actions for workflow run 574

• refactor(ofdft): reduce solver global state dependencies

  skipped:
  GPU validation#573:Issue comment#8157 (comment)createdbymohanchen
  Oct 17, 20262s
  More actions for workflow run 573

• Feature: LR-TDDFT analytical forces (gradients) by Z-vector method and excited-state geometry relaxation

  skipped:
  GPU validation#572:Issue comment#8069 (comment)createdbymohanchen
  Oct 17, 20262s
  More actions for workflow run 572

• Feature: LR-TDDFT analytical forces (gradients) by Z-vector method and excited-state geometry relaxation

  skipped:
  GPU validation#571:Issue comment#8069 (comment)createdbymohanchen
  Oct 17, 20262s
  More actions for workflow run 571

• Feature: LR-TDDFT analytical forces (gradients) by Z-vector method and excited-state geometry relaxation

  skipped:
  GPU validation#570:Issue comment#8069 (comment)createdbymohanchen
  Oct 17, 202610s
  More actions for workflow run 570

• Refactor(input): make relax_method a scalar option

  skipped:
  GPU validation#569:Issue comment#8168 (comment)createdbymohanchen
  Oct 17, 20261s
  More actions for workflow run 569

• Refactor(input): make relax_method a scalar option

  skipped:
  GPU validation#568:Issue comment#8168 (comment)createdbymohanchen
  Oct 17, 20261s
  More actions for workflow run 568

• Refactor DFT+U occupation reader for strict compact input

  skipped:
  GPU validation#567:Issue comment#8166 (comment)createdbymohanchen
  Oct 17, 20261s
  More actions for workflow run 567

• GPU validation

  failed:
  GPU validation#566:Scheduled
  develop

  Oct 17, 20264m 33s
  More actions for workflow run 566

• Tests: scf_out_wf fails on GPU with phase-sensitive per-band coefficient references

  skipped:
  GPU validation#565:Issue comment#8153 (comment)createdbyStardust0831
  Oct 17, 202612s
  More actions for workflow run 565

• Feature: periodic self-consistent continuum solvation (SCCS) Step1: SCCS basic function

  skipped:
  GPU validation#564:Issue comment#8162 (comment)createdbymohanchen
  Oct 17, 20269s
  More actions for workflow run 564

• feat(dfpt): iteration logging and dead-code cleanup

  skipped:
  GPU validation#563:Issue comment#8164 (comment)createdbymohanchen
  Oct 17, 20262s
  More actions for workflow run 563

• feat(dfpt): analytic libxc XC kernel with the i(G+q) carrier term (exact GGA response at q != 0)

  skipped:
  GPU validation#562:Issue comment#8163 (comment)createdbymohanchen
  Oct 17, 20261s
  More actions for workflow run 562

• fix(gpu): FFT_Bundle host-side FFT fallback to fix Wannier90 segfault on GPU

  skipped:
  GPU validation#561:Issue comment#8150 (comment)createdbychengleizheng
  Oct 17, 20261s
  More actions for workflow run 561

• Refactor DFT+U occupation matrix reader

  skipped:
  GPU validation#560:Issue comment#8155 (comment)createdbymohanchen
  Oct 17, 20261s
  More actions for workflow run 560

• refactor(ofdft): reduce solver global state dependencies

  skipped:
  GPU validation#559:Issue comment#8157 (comment)createdbymohanchen
  Oct 17, 20261s
  More actions for workflow run 559

• Refactor occupation matrix initialization

  skipped:
  GPU validation#558:Issue comment#8147 (comment)createdbymohanchen
  Oct 17, 20262s
  More actions for workflow run 558

• GPU validation

  failed:
  GPU validation#557:Scheduled
  develop

  Oct 16, 20264m 59s
  More actions for workflow run 557

• Unify output directory structure with out_app_flag=2

  skipped:
  GPU validation#556:Issue comment#8159 (comment)createdbymohanchen
  Oct 16, 20267s
  More actions for workflow run 556

• Please clarify license explicitly: LGPL-3-only or LGPL-3-or-later?

  skipped:
  GPU validation#555:Issue comment#8131 (comment)createdbymohanchen
  Oct 16, 20261s
  More actions for workflow run 555

• Feature: LR-TDDFT analytical forces (gradients) by Z-vector method and excited-state geometry relaxation

  skipped:
  GPU validation#554:Issue comment#8069 (comment)createdbymaki49
  Oct 15, 20261s
  More actions for workflow run 554

• Tests: scf_out_wf fails on GPU with phase-sensitive per-band coefficient references

  skipped:
  GPU validation#553:Issue comment#8153 (comment)createdbymohanchen
  Oct 15, 20261s
  More actions for workflow run 553

• Is it possible to have the charge density files generated within a specific folder when performing an RT-TDDFT calculation?

  skipped:
  GPU validation#552:Issue comment#8151 (comment)createdbymohanchen
  Oct 15, 20261s
  More actions for workflow run 552