[Pw_forum] Re:Re: Waring message

Paolo Giannozzi giannozz at nest.sns.it
Wed Aug 9 18:27:17 CEST 2006

On Wednesday 09 August 2006 13:53, Donghee Lim wrote:
> Dear Paolo
> I didn't do anything to complete my calculation after the waring
> message appeared, but the calculation was completed. Am I supposed to
> do modify the QE code to complete the calculation after the waring
> message appeared? If so, how was my calculation completed without any
> modification?

the quantum-espresso distribution has a lot of nice and exciting features,
but it doesn't (yet) modify and compile itself. Whoever compiled it has
removed two lines that were stopping the code after the warning message. 
So whoever compiled the code should also remove the lines issuing the 
warning messages (in Modules/fft_scalar.f90) and recompile (provided 
that the code yields the correct results, in addition to a zillion warning
messages). Of course you may choose to just ignore the warning messages, 
but the readability of your output files will suffer.

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

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