On 10/09/2013 07:16 PM, Mike Klymenko wrote: > mpirun -np 4096 ./neb.x -nimage 8 -npool 2 -ntg 4 -ndiag 144 -input my.input > > Do I really need to specify all of then for scf? My computer has 32 CPUs. > I know that practice makes perfect, but could I get some knowledge a priory > here?
Dear Mike, if you oonly have 32 cpus it is a bad idea to run 4096 parallel processes. best regards -- Dr. Lorenzo Paulatto IdR @ IMPMC -- CNRS & Universit? Paris 6 phone:+33 (0)1 44275 084 / skype: paulatz www: http://www-int.impmc.upmc.fr/~paulatto/ mail: 23-24/4?16 Bo?te courrier 115, 4 place Jussieu 75252 Paris C?dex 5
