Test: accelerate integrate tests

[YuLiu98]

Linked Issue

Fix #4357

[WHUweiqingzhou]

I find some warnings in CI tests for the cases you update the ref data in this PR, which confuses me. f.e:
103_PW_15_CF_CS_S1_smallg
103_PW_15_CF_CS_S2_smallg
601_NO_TDDFT_CO
601_NO_TDDFT_CO_occ

I do not list all of them here. How do you get the ref data?
According to https://github.com/deepmodeling/abacus-develop/blob/develop/.github/workflows/test.yml and https://github.com/deepmodeling/abacus-develop/blob/develop/tests/integrate/CMakeLists.txt,
I believe CI test uses OMP_NUM_THREADS=2 mpirun -np 4 abacus |tee log to get result.

[YuLiu98]

I find some warnings in CI tests for the cases you update the ref data in this PR, which confuses me. f.e: 103_PW_15_CF_CS_S1_smallg 103_PW_15_CF_CS_S2_smallg 601_NO_TDDFT_CO 601_NO_TDDFT_CO_occ

I do not list all of them here. How do you get the ref data? According to https://github.com/deepmodeling/abacus-develop/blob/develop/.github/workflows/test.yml and https://github.com/deepmodeling/abacus-develop/blob/develop/tests/integrate/CMakeLists.txt, I believe CI test uses OMP_NUM_THREADS=2 mpirun -np 4 abacus |tee log to get result.

Note that the original CI test reports 65 warnings, while this PR's CI test reports 48 warnings. I have reduced some warnings except for 601_NO_TDDFT_CO_occ. As I know from @lyb9812, this TDDFT example is unstable.

[WHUweiqingzhou]

I find some warnings in CI tests for the cases you update the ref data in this PR, which confuses me. f.e: 103_PW_15_CF_CS_S1_smallg 103_PW_15_CF_CS_S2_smallg 601_NO_TDDFT_CO 601_NO_TDDFT_CO_occ
I do not list all of them here. How do you get the ref data? According to https://github.com/deepmodeling/abacus-develop/blob/develop/.github/workflows/test.yml and https://github.com/deepmodeling/abacus-develop/blob/develop/tests/integrate/CMakeLists.txt, I believe CI test uses OMP_NUM_THREADS=2 mpirun -np 4 abacus |tee log to get result.

Note that the original CI test reports 65 warnings, while this PR's CI test reports 48 warnings. I have reduced some warnings except for 601_NO_TDDFT_CO_occ. As I know from @lyb9812, this TDDFT example is unstable.

how about these cases?
103_PW_15_CF_CS_S1_smallg
103_PW_15_CF_CS_S2_smallg
601_NO_TDDFT_CO

[YuLiu98]

I find some warnings in CI tests for the cases you update the ref data in this PR, which confuses me. f.e: 103_PW_15_CF_CS_S1_smallg 103_PW_15_CF_CS_S2_smallg 601_NO_TDDFT_CO 601_NO_TDDFT_CO_occ
I do not list all of them here. How do you get the ref data? According to https://github.com/deepmodeling/abacus-develop/blob/develop/.github/workflows/test.yml and https://github.com/deepmodeling/abacus-develop/blob/develop/tests/integrate/CMakeLists.txt, I believe CI test uses OMP_NUM_THREADS=2 mpirun -np 4 abacus |tee log to get result.

Note that the original CI test reports 65 warnings, while this PR's CI test reports 48 warnings. I have reduced some warnings except for 601_NO_TDDFT_CO_occ. As I know from @lyb9812, this TDDFT example is unstable.

how about these cases? 103_PW_15_CF_CS_S1_smallg 103_PW_15_CF_CS_S2_smallg 601_NO_TDDFT_CO

As I mentioned above, these tests already reported warnings before this PR. Maybe previous PRs should be checked to determine when these warnings are introduced.

103_PW_15_CF_CS_S1_smallg and 103_PW_15_CF_CS_S1_smallg do not report warnings after this PR.

[WHUweiqingzhou]

LGTM.