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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?
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Reproduce the performance issue on a similar system or environment.
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Investigate the issue and determine the root cause.
Research best practices and potential solutions for the identified performance issue.
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The text was updated successfully, but these errors were encountered:
Hello,@summitmoon I suggest you to set out_mul 0 and symmetry 0 for v3.9.0 with DFT+U calculation, I will fix the conflict between out_mul and DFT+U soon.
Details
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)
The text was updated successfully, but these errors were encountered: