[Pw_forum] first two lines in PWscf 1.2.0 input files

[Paolo Giannozzi]

Hi

> I remember that someone said that the first two lines in input files 
> for pw1.2.0 (for example, Si and Silicon, in example1/si.scf.in) are
> the relic from previous versions. Why are they still present

because nobody took the time to remove them from all examples. 
Anything before the first namelist is just ignored by all compilers 
I know...

> I am not asking this question from pure curiosity. I am trying to find 
> why pw1.2.0, when compiled with NAG f95 on linux, has a runtime error. 
> When I here removed the first two lines in the input file, the error 
> message changes

...except, apparently, NAG f95. Good to know.

> and a new message is that in readin.f90 it does not want 
> to connect iunps=4 in  
> open (unit = iunps, file = file_pseudo, status = 'old', form = &
>           'formatted', iostat = ios)

this is another story. Print "file_pseudo" and verify if it exists
and if it is readable. Maybe you have to specify "readonly", maybe 
unit 4 is reserver for something special (just change it to 27 or
whatever you like). Maybe ios has to be initialized to 0.
Just guessing.

Paolo

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Paolo Giannozzi             e-mail:  giannozz at nest.sns.it
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