[Wien] modify .machines file and resume SCF cycle

[Chouaib AHMANI FERDI]

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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