[Q-e-developers] wannier90-2.0.1 + Nag

[Filippo SPIGA]

Dear Samuel,

my NAG compiler license expired again so I have no way to test further any changes for that compiler. If the Wannier folks can release a new version (e.g. "2.0.2") with these changes then we can use it. Otherwise we set a workaround and apply manually una patch when QE compiles the code.

Let wait a feedback about this and see how to proceed. Thanks for having noticed this problem.

Cheers

--
Mr. Filippo SPIGA, M.Sc.
Quantum ESPRESSO Foundation
http://fspiga.github.io ~ skype: filippo.spiga

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> On Nov 5, 2015, at 10:35 AM, Samuel Poncé <samuel.pon at gmail.com> wrote:
> 
> Dear QE developers, 
> 
> I've noticed that there is now a new version of the wannier90 code: wannier90-2.0.1 
> 
> In order to compile it with NAG I had to make the following changes:
> 
> Error: ../postw90/comms.F90: Argument ZX (no. 2) in reference to MY_ICOPY from COMMS_SCATTERV_INT is not an array
> Error: ../postw90/comms.F90: Argument ZY (no. 4) in reference to MY_ICOPY from COMMS_SCATTERV_INT is not an array
> 
> Which can be solve by modifying
>   
>   subroutine comms_scatterv_int(array,localcount,rootglobalarray,counts,displs)
> 
>     implicit none
> 
>     integer, dimension(:), intent(inout)      :: array
>     integer, intent(in)                       :: localcount
>     integer, dimension(:),  intent(inout)     :: rootglobalarray
>     integer, dimension(num_nodes), intent(in) :: counts
>     integer, dimension(num_nodes), intent(in) :: displs
> 
> Error: ../postw90/geninterp.F90, line 189: No specific match for reference to generic COMMS_SCATTERV
> 
> which can be corrected with (one has to check that this is the intendend behavior though):
> 
> call comms_scatterv(localkpointidx(:),counts(my_node_id),kpointidx(:),counts, displs)
> 
> 
> Hope it helps, 
> 
> Best, 
> 
> Samuel
> 
> -- 
> ------------------------------------------------------------------------------------------------
>     Dr. Samuel Poncé  
>     Department of Materials
>     University of Oxford
>     Parks Road
>     Oxford OX1 3PH, UK
> 
>     Phone: +44 1865 612789
> 
>     email: samuel.ponce at materials.ox.ac.uk 
> 
>     web: 
> http://giustino.materials.ox.ac.uk/index.php/Site/SamuelPonc%e9
> 
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