The ABINIT Users Mailing List ( CLOSED )

[fparnold <fparnold@binghamton.edu>]

On Aug 22, 2005, at 9:21 AM, Paul Fons wrote:

> Yes this is the gnu 4.0 g95 fortran.  I gather it is a work in  
> progress, but it actually compiled the abinit source without error  
> and passed the floating point tests.  I have no idea at this point  
> what quality of the code generated by the g96 compiler (the absoft  
> compile generated errors so speed is not the important point  
> there).  In the (included) comparisons with the P6 code in Tests_v1- 
> v4, the speed varied from about the same as a P6 to about twice as  
> fast (a single CPU of a 2.7 GHz G4).  I am going to work on getting  
> the Absoft compiler to work as well.  I am disappointed to hear  
> about the code efficiency.   I was sad to hear that IBM doesn't  
> have plans to support 64 bits for XLF hence my purchase of the  
> absoft compiler.  Getting the code to work in 64 bits also was not  
> too difficult.  I just had to build the gcc 4.0 and g95 libraries  
> in 64 bit mode.  With a little more efforts, it should be possible  
> to use the apple lipo utility to generate fat libraries with both  
> 32 and 64 bit code in them.  I want to build the MPI version of  
> next so I can use both G5 cpus.  Any opinion as to which MPI  
> library is best?
>
>                                         Paul
>
>
>
>
> On Aug 22, 2005, at 05:30 AM, Frederick Arnold wrote:
>
>
> > Hello,
> >
> > Is this the g95 (http://www.g95.org) or the GNU g95 (gfortran)  
> > that you've managed to compile it with?  I'm evaluating compilers  
> > for my Mac cluster, and was underwhelmed by the performance of  
> > Absoft 9.2 versus XLF (which is, regrettably, 32bits only).
> >
> > Thank you for your time.
> >
> >     -Fred arnold
> > On Aug 20, 2005, at 9:20 PM, Paul Fons wrote:
> >
> >
> >
> > >  I have succeeded in getting abinit to compile and run in 32 and  
> > > 64 bits with the g95 compiler (I had to build it from source to  
> > > get the 64 bit version).  This is on a 2.7 GHz dual G5 with 4 GB  
> > > of memory and OS 10.4.2. The g95 passes all of the tests as well  
> > > in both 32 and 64 bit mode.  This is for the latest code 4.6.3  
> > > codebase. I suspect that the code generated by the absoft  
> > > compiler I just bought is better (wishful thinking?) and would  
> > > like to compile abinit with this as well (I am planning to build
> >
> > Frederick Arnold
> > Department of Chemistry
> > Binghamton University
> > Binghamton, NY 13902
> > fparnold@binghamton.edu