[QE-developers] QE 6.6 bug in CPV/src/plugin_ext_forces.f90

[Paolo Giannozzi]

 Hi, are you applying the Environ plugin? or the Plumed plugin? File
CPV/src/plugin_ext_forces.f90 is empty unless you patch it.

Paolo


On Wed, Oct 14, 2020 at 8:06 PM Scott A. Kajihara <kajihasa at afrl.hpc.mil>
wrote:

>
> To Whom Is Empowered:
>
> In the released version QE 6.6, I get the following error when compiling
> file CPV/src/plugin_ext_forces.f90:
>
> ===
> plugin_ext_forces.f90(39): error #6285: There is no matching specific
> subroutine for this generic subroutine call.   [S_TO_R]
>        call s_to_r(taus,tau_meta,na,nsp,h)
> ------------^
> compilation aborted for plugin_ext_forces.f90 (code 1)
> ==
>
> In looking at the objects taus, tau_meta [both (3,nat)] as well
> as the subroutine s_to_r3 in Modules/cell_base.f90:
>
> ===
>         SUBROUTINE s_to_r3 ( S, R, nat, h )
> ===
>
> I opine that this call should read:
>
> ===
>        call s_to_r(taus,tau_meta,nat,h)
> ===
>
> Please advise.
>
> Thank you,
>
> Scott Kajihara
> US Air Force Research Laboratory DoD Supercomputing Resource Center
> Wright-Patterson Air Force Base, Ohio
>
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-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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