Dear users and developers!
I would like to ask you how to make qchem (I’m using the 5.1 version) compute ADC(3) excitation energies in the parallel mode.
I understand, that it has to be done within a single node with a number of cpus (cores). The program is compiled with openMP, I am using the recommended switches (-slurm -nt … ) and it runs fine while doing the SCF, yet as soon as it goes to the correlated part (MPs, ADC iterations) it immediately switches to a single-core job.
Please, assist me here as I have not a clue what I should do. If you need information about the environment, let me know and I will try to fill you in as best as I can.
My very best regards