On Tuesday 07 February 2006 20:12, Andrea Floris wrote: > the nscf calculation does not produce any output, and it is basically > stacked (whereas, with the same input, the serial version works of > course). This happens *only* when the k-points are given explicitly > (with the automatic mode is fine).
I guess you mean "stuck". When a parallel run goes bananas, it can be hard to understand why. Print output to the terminal, not to file. Add print statements (using "write (*, ...", that should actually print something from each process), stop commands (use "call stop_run(.false.)") and try to locate what happens and where. > compiler: pgi 5.2-4 see my previous message Paolo -- Paolo Giannozzi e-mail: giannozz at nest.sns.it Scuola Normale Superiore Phone: +39/050-509876, Fax:-563513 Piazza dei Cavalieri 7 I-56126 Pisa, Italy
