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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 function
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I am using ABACUS which is compiled by conda with 56 atoms in a spin-polarized system. However, the job is always crashing at the last cycle in scf calculations. Here I attached the INPUT files here.issue.zip
Could help me to fix this problem?
Task list for Issue attackers (only for developers)
- Reproduce the performance issue on a similar system or environment.
- Identify the specific section of the code causing the performance issue.
- Investigate the issue and determine the root cause.
- Research best practices and potential solutions for the identified performance issue.
- Implement the chosen solution to address the performance issue.
- Test the implemented solution to ensure it improves performance without introducing new issues.
- Optimize the solution if necessary, considering trade-offs between performance and other factors (e.g., code complexity, readability, maintainability).
- Review and incorporate any relevant feedback from users or developers.
- Merge the improved solution into the main codebase and notify the issue reporter.
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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 function