Dear everyone, I'm running SIESTA 2.0.2 on two parallel machines, one is EM64T/ifort/MKL, the other is PPC970/xlf/ESSL. Both binaries seem to perform similarly well, with an only exception: on the second cluster, the flag *Diag.ParallelOverK*doesn't work. Whether I set it to .true. or not, the parallelization is anyway done over orbitals. What could be the reason of this strange behavior?
Regards, Vasilii