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

[Andreussi, Oliviero]

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<mailto:p.giannozzi at gmail.com>> wrote:

Illegal attribute - intent specified for nondummy argumen

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