CCSD(T) OpenMP Threads

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Gets Around

4:15:41 PM PST - Thu, Feb 22nd 2018

Your input file is incorrect. You must set the RTDB variables before invoking the task.

Good:

 set ccsd:use_trpdrv_nb T 
 set ccsd:use_ccsd_omp T
 set ccsd:use_trpdrv_omp T
 task ccsd(t) energy

Bad:

 task ccsd(t) energy
 set ccsd:use_trpdrv_nb T 
 set ccsd:use_ccsd_omp T
 set ccsd:use_trpdrv_omp T