Re: [SIESTA-L] Obviously poor PARALLEL performance compared toVASP

did you try diag.paralleloverk T ? Regards Marcel Marcel Mohr Institut für Festkörperphysik, TU Berlin marcel(at)physik.tu-berlin.de Sekr. EW 5-4 TEL: +49-30-314 24442 Hardenbergstr. 36

Re: [SIESTA-L] Obviously poor PARALLEL performance compared toVASP

Dear All Look at the input. Your system is too small to see any benefit from parallelizing over orbitals (default behaviour): initatomlists: Number of atoms, orbitals, and projectors: 64 256 576 * Maximum dynamic memory allocated =16 MB (this is per node, so probably 8*16=128 MB or

Re: [SIESTA-L] Obviously poor PARALLEL performance compared toVASP

Thank you very much. diag.paralleloverk T worked. New good timings are as follows: 2cpu--- Start of run 0.000 -- end of scf step35.661 -- end of scf step64.727 -- end of scf step93.779 -- end