The ABINIT Users Mailing List ( CLOSED )

[Paul Fons <paul-fons@aist.go.jp>]

 I used gcc-4.0.2 downloaded from CVS and the configure options ./ 
configure --prefix=/usr/local --with-gcc-dir= (the gcc 4.0.2. I just  
compiled).  There is one source file which doesn't compile  
smoothvlocal.F90 when g95 is linked to gcc 4 but I have avoided this  
problem by using an smoothvlocal.o from an older version of the  
compiler, but other than that there were no problems compiling or  
with any of the tests.  In fact, I would say that g95 is better than  
the Absoft compiler I actually bought which fails even the make tests  
standard.

                                Paul
On Oct 6, 2005, at 11:33 AM, Nuno A. G. Bandeira wrote:

> Paul Fons wrote:
>
>
> > Hi Nuno,
> > I am using abinit compiled using g95 (with mpich2) on a dual  
> > power  mac G5.  I used the Oct. 5th version of the g95 compiler  
> > (compiled it  myself).  The paw tests (e.g. t06 in Test_v4) seem  
> > to run fine.  Can  you specify the input file you used and I will  
> > see if I can duplicate  it here.  It may be that g95 (www.g95.org)  
> > has been fixed (it is  evolving rapidly, especially bug fixes --  
> > there is a new build almost  every day).
>
> I used the Oct. 4th version for Windows. The Tutorial tests and the  
> one you mention don't work and they stop with similar error  
> messages. There seems to be a problem writing or reading from the  
> disk. But at least I'm glad to hear the problem is not compiler  
> specific.
> Out of curiosity what were your compiler cards ? Did you link it to  
> g2c?
>
>
> >   While I am at it, how are you generating your paw potentials?
>
> Uspp2abinit.
>
> The examples you and I described show the same symptoms so there's  
> no use in me sending you huge attachments.
>
> This is possibly a bug in g95 for Windows.
>
> I have tried to use atompaw but it's buggy.
>
>
> --
> 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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