| 10:13:55 AM PST - Wed, Nov 18th 2015 |
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l_XTRIPV refers to a local array that needs (NNM^3)*(NGRID^3) doubles, where NNM refers to the number of normal modes (i.e. 3*(number of atoms)-6 for non-linear molecule) and NGRID refers to the number of grid points along each normal mode (default 16). Based on the size of your molecule, it would appear that you need a little over 2 GB of stack memory for that array. With a memory specification of
memory stack 2600 heap 200 global 800 mb
I was able to get the VSCF calculation running on the input you provided above.
Best,
Sean
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