[molpro-user] u-ccsd/f12 calculation fails

DE BRUIN Theodorus theodorus.de-bruin at ifpen.fr
Fri Mar 11 14:32:25 CET 2016

Dear All,

I'm a relatively new user of Molpro.

I'm trying to make an UCCSD-F12 calculation on a hydrocarbon system containing 24 atoms, with : memory,6000,M
From the hardware side, I'm using a single core on a node that has in total 16 cores and 64 GB RAM.

The calculation stops with the following message at the end:

CPU time for transformed integrals            3230.24 sec
? Error
? actual memory layout of target op is different from the expected one
? The problem occurs in LoadF12Op

I appreciate your help to overcome this error.
Kind regards,

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