[Pw_forum] PWcond: parallel exec. failure?

[Paolo Giannozzi]

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