On Monday 16 January 2006 11:14, Gabriele Sclauzero wrote: > I was testing the 3.0 espresso distribution on a parallel machine > where I compiled the codes with mpich. I tried to run the example 22 > which comes with this distribution, but the pwcond.x program seems to > have some problem. This is the last line obtained from the output file > pt.cond.out: > > ngper, shell number = 69 13 > > then the job gets stuck.
on parallel machines the last line written to file may not be the last. Write to standard output, not to file; then let all processes, and not only one of them, print the output (see file PW/startup.f90). The pwcond.x code performs a diagonalization of a non-symmetric matrix that sometimes crashes for no apparent good reason. P. -- 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
