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Re: [abinit-forum] PAW runs


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  • From: "Nuno A. G. Bandeira" <nuno.bandeira@ist.utl.pt>
  • To: forum@abinit.org
  • Subject: Re: [abinit-forum] PAW runs
  • Date: Thu, 06 Oct 2005 14:55:46 +0100

Marc Torrent wrote:

Hi,

Try to edit the Src_3paw/pawinit.F90 file and comment the line number 172 (i.e. if (associated(pawang%realgnt)) deallocate(pawang%realgnt))...
It's an optional line for most compilers... and perhaps g95 does not appreciate the "associated" function used on pointers.
Then re-compile the code...

Holy remedy ! It works !

It seems g95 for Windows is not the same as g95 for Mac.
Can this detail be included in the makemake script or at least given as a warning in the documentation ?

The Tutorial tests now run ok and I suspect the Test_v4 files will too.


--
Nuno A. G. Bandeira, AMRSC
Graduate researcher and molecular sculptor
Inorganic and Theoretical Chemistry Group,
Faculty of Science
University of Lisbon - C8 building, Campo Grande,
1749-016 Lisbon,Portugal
http://cqb.fc.ul.pt/intheochem/nuno.html
Doctoral student @ IST,Lisbon
--


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