[QE-users] [EXT] Re: QE-6.5-GPU and ENVIRON

[Michele Re Fiorentin]

Dear Oliviero,

Thank you very much for your answer!!
If I remove both e2 and e2_, the code successfully compiles. However, if I
keep the line e2_ = 2.D0 the compiler rightfully complains that e2_ has not
been explicitly declared. What declaration should be added?
Thank you again,


Michele


--
Michele Re Fiorentin, PhD

Istituto Italiano di Tecnologia (IIT)
Center for Sustainable Future Technologies @ PoliTO
via Livorno 60
10144 Torino (Italy)
tel: +39 0110904333
email:    michele.refiorentin at iit.it


Il giorno mer 24 giu 2020 alle ore 18:09 Andreussi, Oliviero <
Oliviero.Andreussi at unt.edu> ha scritto:

> Hi,
>
> Thank you for reporting the issue with the PGI compiler on Environ.
>
> I am really not sure why there should be an error for e2.  I don’t have
> access to the PGI compiler and I am not sure I can debug this kind of
> compilation error, I tried searching on google but with not great success
> (and gfortran and intel fortran do not complain about this). I would try to
> just change the INTENT(IN) to INTENT(INOUT), which should not be needed,
> but may fix the compiler concerns.
>
> Note that if you only need to use pw.x and not cp.x (which is very often
> the case, as I still have to find a good reason to use cp.x with Environ)
> e2 is not really passed to environ_initbase(), so in fact e2 is not
> present. I guess this may be the source of confusion of PGI, but the
> argument is OPTIONAL and the compiler should know this. Anyway, another fix
> is that you remove e2 from the arguments of the environ_initbase()
> definition and only keep the line e2_ = 2.D0.
>
> If you find other instances or other problems, don’t hesitate to let me
> know.
>
> Best,
>
> Oliviero
>
> On Jun 24, 2020, at 10:54 AM, Paolo Giannozzi <p.giannozzi at gmail.com>
> wrote:
>
> Illegal attribute - intent specified for nondummy argumen
>
>
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