TCE - Problems with GA
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Gets Around
9:02:08 AM PST - Wed, Dec 10th 2014
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.