Posted by Dalal Kanan on June 15, 2009 at 15:16:07:
Dear Developers,
I am trying to run a GUGA calculation that correlates a total of 16 electrons, 12 of which are active in 12 orbitals. GUGA begins to run and then crashes, despite the large memory available to it. The error is written as
“Tab2: ISUM.GT.LIX
ISUM,LIX= 780736 500000”
Is this a memory issue? It is not sensitive to the amount of MOLCASMEM I allocate, and I am unclear as to what ISUM and LIX represent.
Thank you for your assistance,
Dalal