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Tests: We need update some reference data of integrated tests #4615

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WHUweiqingzhou opened this issue Jul 9, 2024 · 0 comments · May be fixed by #5402
Open
9 tasks

Tests: We need update some reference data of integrated tests #4615

WHUweiqingzhou opened this issue Jul 9, 2024 · 0 comments · May be fixed by #5402
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@WHUweiqingzhou
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Refactor Refactor ABACUS codes

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@WHUweiqingzhou
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WHUweiqingzhou commented Jul 9, 2024 •
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Describe the Testing Issue

After #4493, warnings are not allowed anymore in CI tests. However, #4493 only changed threshold to make CI pass, instead of changing refs themselves.
At that time, there were 64 warnings/fatal errors.

The List:

Warning: NG]    61 test cases out of 1227 failed.
101_PW_15_lowz
101_PW_15_paw
101_PW_blps_pseudopots
101_PW_upf201_uspp_NaCl
101_PW_Coulomb
102_PW_BPCG
103_PW_CF_CS_S1_smallg
103_PW_CF_CS_S2_smallg
104_PW_NC_magnetic
105_PW_FD_smearing
105_PW_GA_smearing
107_PW_outWfcR
108_PW_RE
108_PW_RE_MB
109_PW_CR_fix_a
109_PW_CR_fix_ab
109_PW_CR_fix_abc
109_PW_CR_fix_ac
109_PW_CR_fix_b
109_PW_CR_fix_bc
109_PW_CR_fix_c
109_PW_CR_moveatoms
110_PW_SY_symmetry_LiRh
111_PW_elec_add
111_PW_elec_minus
111_PW_S2_elec_add
111_PW_S2_elec_minus
115_PW_sol_H2
116_PW_scan_Si2_nspin2
120_PW_KP_MD_NPT
120_PW_KP_MD_NVT
133_PW_DJ_PK
150_PW_15_CR_VDW3
170_PW_MD_1O
170_PW_MD_2O
180_PW_SDFT_10S_M
180_PW_SDFT_10S_P
181_PW_SDFT_5D10S
182_PW_SDFT_ALL
183_PW_MD_SDFT_10S
183_PW_MD_SDFT_5D10S
183_PW_MD_SDFT_ALL
184_PW_BNDPAR_SDFT_10S
184_PW_BNDPAR_SDFT_5D10S
184_PW_KPAR_SDFT_ALL
185_PW_SDFT_10D10S_METHD2
185_PW_SDFT_10S_METHD2
186_PW_SDOS_10D10S
186_PW_SNLKG_10D10S
250_NO_KP_CR_VDW3ABC
281_NO_KP_HSE
286_NO_KP_CR_HSE
384_NO_GO_S1_HSE_loop0_PU
601_NO_TDDFT_H2_restart
601_NO_TDDFT_CO
601_NO_TDDFT_CO_occ
803_PW_LT_bcc
806_PW_LT_st
802_PW_LT_fcc
807_PW_LT_bct
810_PW_LT_fco

For GPU tests:

102_PW_CG_GPU
102_PW_DA_davidson_GPU
102_PW_BPCG_GPU

We now need each relevant developer to claim their respective test cases and confirm whether the current functionality is normal. After confirmation, the threshold needs to be lowered to the following levels:

threshold 0.0000001
force_threshold 0.0001 
stress_threshold 0.001
fatal_threshold 1

Additional Context

No response

Task list for Issue attackers (only for developers)

  • Understand the testing issue described by the developer.
  • Review the specific test case, expected and actual results, and any error messages.
  • Identify the root cause of the test failure or issue.
  • If a possible solution is suggested, evaluate its feasibility and effectiveness.
  • Implement a fix for the test failure or issue, or create a new test case if needed.
  • Verify that the fix resolves the testing issue and the test case passes.
  • Review and update any relevant documentation, such as test plans or user guides.
  • Ensure the testing issue is resolved and close the ticket.
  • Share any lessons learned or best practices with the team to prevent similar issues in the future.
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@mohanchen @WHUweiqingzhou