[Pw_forum] band calculation in parallel

[Paolo Giannozzi]

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 
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