Greetings Wien2k users, As the title implies, is it possible to stop an SCF cycle, modify the .machines files, maybe add some machines (localhost) or set OMP_NUM_THREADS=2 instead of one, and then resume the SCF with the prompt "run SCF anyway" ? and if so, would it compromise the calculation ?
PS: it would be helpful with managing several calculations and priorities that may change in time, and also considering convergence duration of days not hours. PS 2: Setting OMP_NUM_THREADS=2 and yet leaving the N lines of localhost intact will certainly double the number of cores involved but would that double the RAM memory (or resolution) of each process ? Faithfully, -- AHMANI FERDI Chouaïb "Laboratoire Matériaux Nanomatériaux Nanomagnétisme et Enseignement des Sciences" Ecole Normale Supérieure Université Mohammed V, Rabat. Tel : +212 6 94 59 57 60
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