The ABINIT Users Mailing List ( CLOSED )

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

I have compiled 4.6.2 with mpich2 and it worked without a hitch on a  
powermac g5 2.7 GHz dual cpu machine.  mpich2 worked out of the box.   
I used the g95 compiler and only had to modify one source in abinit  
due to source file lines continuing past column 130 (I just made an  
extra continuation line).

                Paul
On Aug 30, 2005, at 23:24 PM, Scott P. Beckman wrote:

> I think that the problem might be that both the libmpich.a and  
> libpmpich.a libraries needed to be listed explicitly.  I got the  
> source to compile last night and am going to try compiling today  
> with a fresh source tree.
>
> None of the makefile_macros in the source tree have parallel  
> support.  Is this just because no one has uploaded examples to the  
> CVS repository or is there another reason?
>
> Is vecLib support for Mac built into Abinit?  I don't see reference  
> to its libraries in the source tree for 4.5.3.  Is it in development?
>
> Scott
>
> On Aug 29, 2005, at 5:57 PM, Mustafa Uludogan wrote:
>
>
> > Hi,
> > Using -qextname in xlf causes problems especially with
> > the parallel version of abinit. Abinit group also
> > advises not to use -qextname with the parallel
> > installation. On MAC systems, if you want to get full
> > advantage of VecLib , you have to use -qextname, but
> > from my experience using   other codes on MAC , I do
> > not prefer to use -qextname flag. I always have two
> > versions of lam or mpich installed with -qextname and
> > without it.
> > Mustafa
> > --- Fabrizio Cleri <fabrizio.cleri@casaccia.enea.it>
> > wrote:
> >
> >
> > > Hi,
> > >
> > > there is nothing wrong in the makefiles, in fact the
> > > ones
> > > Mustafa sent me were pretty close to the ones I had.
> > >
> > > The problem is in the "underscore" character _ which
> > > is to
> > > be appended, or not, to some fortran libraries when
> > > mixing
> > > fortran and c calls. The fact is that all the mpi
> > > libraries do not have the underscore, by default,
> > > while
> > > some libraries necessary to Abinit (usually the BLAS
> > > and
> > > some other stuff) do need the _ character.
> > >
> > > The only way around I could find is to compile also
> > > the
> > > mpi libraries by adding the _ suffix. This can be
> > > done by
> > > setting FFLAGS and F90FLAGS to include the -qextname
> > >
> > > option.
> > >
> > > When such libraries are produced, the link step is
> > > done
> > > correctly. However, there are additional problems
> > > which I
> > > have found.
> > >
> > > For example, if I simply compile the mpich-1 library
> > > from
> > > Dauger Research (the one compatible with Pooch)
> > > adding the
> > > -qextname, the libraries are produced, but some
> > > commands,
> > > including mpif90 which is necessary to make Abinit,
> > > come
> > > out wrong. So I had to do TWO compilations, one with
> > >
> > > -qextname to get the libraries right, and another
> > > without
> > > -qextname to get all the commands right. Now I mix
> > > the two
> > > and Abinit compiles well.
> > >
> > > Then, I have some problems to start the parallel
> > > compilation. Apparently, abinip starts and works
> > > with 1
> > > process. But if I start more than 1 process the
> > > whole
> > > thing crashes. However, the mpi tests run well and
> > > also
> > > the Pooch sample programs work well...
> > >
> > > still to clarify...
> > >
> > > Keep me posted about your progress,
> > > fc
> >
> >
> > Mustafa Uludogan
> > Chemical Engineering Department
> > Texas A&M University
> > College Station, TX 77843
> >
> >
> >
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