Dear NWChem developers and users,
I am doing an expensive CCSDT calculation and I would like to save the intermediate results and restart it several times. I followed the manual and wrote
set tce:save_integrals t t t t t
set tce:save_t t t t t
set tce:save_l t t t t
set tce:save_tr t t t t
set tce:save_interval 10
and the results were indeed saved. However, when I tried to restart it by using
set tce:read_integrals t t t t t
set tce:read_t t t t t
set tce:read_l t t t t
set tce:read_tr t t t t
I got an error: [0] Received an Error in Communication: (911) 0:tce_energy: cannot restart without 2eorb
But 2eorb cannot be used with CCSDT. (The manual says "The 2EORB keyword can be used for all CC methods except for those using an active-space (CCSDt)" but that is not true. I tried 2eorb with CCSDT and it printed "2eorb does not work with
Coupled-cluster singles, doubles, & triples")
Is there any way I can restart a CCSDT calculation?
Thanks,
Shaohong
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