TCE - Problems with GA


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Gets Around
Quote:CoolEsza Mar 13th 8:45 am
Thanks for answering.
here you find the respective in- and outputs of my tests

https://www.dropbox.com/s/nk08gbc1imp6rfu/IO-TCE-test_A_Kulesza.zip

The normal TCE default-GA run works for the minimal example, but my available memory is not sufficient for my real problem.

Its a 20 atom Fe-containing complex with TZVPP basis set

Best
Alex


You will likely need a bigger computer or a different code that does RI-CC2 or some other memory-reducing algorithm.