MDCI Error in the STEOM-DLPNO-CCSD calculation

Makhvela · 发表于 Post on 2025-1-30 10:47:29

Hello, I have faced an MDCI error problem in the STEOM-DLPNO-CCSD calculation, I don't understand where the problem is, I've tried different max cores, but couldn't resolve the error. Could anyone please help solve the error ?? Many Thanks

Makhvela · 发表于 Post on 2025-2-7 10:23:17

本帖最后由 Makhvela 于 2025-2-8 13:57 编辑

Makhvela 发表于 2025-2-6 14:01

sir, the system has 1.8T memory available, but I still faced the same error

Makhvela · 发表于 Post on 2025-2-6 14:01:24

本帖最后由 Makhvela 于 2025-2-7 10:29 编辑

paramecium86 发表于 2025-1-30 12:12
The issue you experiencing may be due to insufficient hard drive space, as indicated by the failure ...

Thank you sir

paramecium86 · 发表于 Post on 2025-1-30 12:12:33

The issue you experiencing may be due to insufficient hard drive space, as indicated by the failure to write data to a temporary file. This suggests that the problem is related to storage capacity rather than a shortage of RAM, which is managed by MAXCORE. Should consider checking the hard drive capacity and usage to determine if this is the root cause of the problem.

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[ORCA] MDCI Error in the STEOM-DLPNO-CCSD calculation

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