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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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- PAW runs, Nuno A. G. Bandeira, 10/06/2005
- Re: [abinit-forum] PAW runs, Paul Fons, 10/06/2005
- Re: [abinit-forum] PAW runs, Nuno A. G. Bandeira, 10/06/2005
- Re: [abinit-forum] PAW runs, Paul Fons, 10/06/2005
- Re: [abinit-forum] PAW runs, Nuno A. G. Bandeira, 10/06/2005
- Re: [abinit-forum] PAW runs, Marc Torrent, 10/06/2005
- Re: [abinit-forum] PAW runs, Nuno A. G. Bandeira, 10/06/2005
- Test_fast, Nuno A. G. Bandeira, 10/07/2005
- Re: [abinit-forum] RAM in PAW, Bousquet Eric, 10/11/2005
- Re: [abinit-forum] PAW runs, Paul Fons, 10/06/2005
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