Closed
Description
Describe the Code Quality Issue
For any other ks_solver, there will be head string for idenfity the method in use
gemm_algo_selector::Fastest time: 0.01024 ms
START CHARGE : atomic
DONE(47.329 SEC) : INIT SCF
ITER ETOT/eV EDIFF/eV DRHO TIME/s
CU1 -4.62545025e+04 0.00000000e+00 1.6130e-01 41.72
CU2 -4.62382548e+04 1.62476661e+01 9.7728e-02 32.33
CU3 -4.62412256e+04 -2.97078799e+00 6.1634e-03 33.27
CU4 -4.62412374e+04 -1.18013086e-02 7.2587e-04 33.52
CU5 -4.62412374e+04 -6.22846676e-06 2.9139e-04 32.08
CU6 -4.62412375e+04 -2.73419294e-05 2.9259e-05 29.68
CU7 -4.62412375e+04 -5.34242283e-07 2.1582e-06 29.45
CU8 -4.62412375e+04 8.30130603e-08 3.6164e-07 26.33
But which is lack for cusolvermp
gemm_algo_selector::Fastest time: 0.011264 ms
START CHARGE : atomic
DONE(44.7966 SEC) : INIT SCF
ITER ETOT/eV EDIFF/eV DRHO TIME/s
1 -4.62545025e+04 0.00000000e+00 1.6130e-01 40.05
2 -4.62382548e+04 1.62476661e+01 9.7728e-02 32.74
3 -4.62412256e+04 -2.97078799e+00 6.1634e-03 32.31
4 -4.62412374e+04 -1.18013086e-02 7.2587e-04 31.65
5 -4.62412374e+04 -6.22844820e-06 2.9139e-04 32.55
6 -4.62412375e+04 -2.73419542e-05 2.9259e-05 32.26
7 -4.62412375e+04 -5.34186599e-07 2.1582e-06 34.60
8 -4.62412375e+04 8.28521942e-08 3.6164e-07 29.89
Additional Context
No response
Task list for Issue attackers (only for developers)
- Identify the specific code file or section with the code quality issue.
- Investigate the issue and determine the root cause.
- Research best practices and potential solutions for the identified issue.
- Refactor the code to improve code quality, following the suggested solution.
- Ensure the refactored code adheres to the project's coding standards.
- Test the refactored code to ensure it functions as expected.
- Update any relevant documentation, if necessary.
- Submit a pull request with the refactored code and a description of the changes made.