CCSD(T) Calculation with Quadruple Zeta Basis Set -- Memory Issue

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Forum Vet

9:47:59 AM PDT - Tue, Jun 19th 2018

createfile: failed ga_create size/nproc bytes          5348875365

5348875365=5348875365/1024/1024/1024=4.98 GB

Please change the memory line to



memory stack 1300 mb heap 200 mb global 6000 mb