[DFTB-Plus-User] insufficient virtual memory with LC-DFTB

[Federico Hernandez]

Hi guys,

I am trying to run a single point using Casida along with LC-DFTB. I have used the "ulimit -s unlimited"  and the "WriteHSDInput = No" options, but still get the same error.

My system has 2025 atoms, only C-H-N (6050 electrons). I am using 1 core (because I understand Casida module is not parallelized yet) and 120 Gb.

Does anyone know how to overcome this issue?

Many thanks
F



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