The ABINIT Users Mailing List ( CLOSED )

[Alain Jacques <ajs.jacques@gmail.com>]

Hello James,

If you use the configure flags --enable-mpi --
--with-mpi-prefix=/opt/mpich ... FC=ifort, the thing to look after is
that the mpi environment uses the same fortran compiler. So your
/opt/mpich/... should have been built with Intel ifort compiler; if
mpich has been installed from a Suse distributed package, I assume it
has been built with the default gcc/gfortran toolchain.
Not recognized? ... look for the mpif90 wrapper; it should reside in
/opt/mpich/bin and the right prefix is then
--with-mpi-prefix=/opt/mpich. Are you working with a mpich(1) or mpich2?
mpich is antiquated, use mpich2 (and btw I would recommend openmpi)

Setup your build environment in order to find the mpi execs if it is not
already done (export PATH=/opt/mpich/bin:$PATH) and libraries (export
LD_LIBRARY_PATH=/opt/mpich/lib:$LD_LIBRARY_PATH)
Do a simple parallalel fortran hello test with the following program ...

PROGRAM HelloWorld
include 'mpif.h'
 
call mpi_init(ierr)
call mpi_comm_size(MPI_COMM_WORLD,npes, ierr)
call mpi_comm_rank(MPI_COMM_WORLD,irank,ierr)
 
print*,'Hello World! I am ',irank,' of ',npes
 
call mpi_finalize(ierr)
 
END PROGRAM

Save in hello.f90. Compile with mpif90 hello.f90. Does it produce a
working binary?

If all of this work, go back to abinit. Try with a plain configure and
let it find out the best setup. Do a configure --enable-mpi
--with-mpi-prefix=/opt/mpich. Maybe add --enable-64bit-flags if you're
working with a 64bit mpich lib. Any error during configure? Look for
details in config.log. In case of difficulties, please mention your
abinit version, the output of gcc -v, mpif90 -v and mpif90 -showme.

Cheers,

Alain


> Hi,
> I'm the relatively inexperienced system admin for a few computers in
> my experimental lab.  I'm  using a SMP 4 intel xenon processor
> SUSE10.1 machine, and have compiled and run abinit quite sucessfully,
> but only in a serial capacity.  I'd like to use the larger power of my
> machine by using the parallel version of the code.  To that end, I
> installed the mpich package.  That, however, did not install a header
> file mpi.h which the tutorial on abinip said to look for.  I then
> installed the mpich development package/kit/thingy from SUSE.  This
> has the mpich header, as well as a several libraries for the fortran
> compiler.  First question, it is unclear from the tutorial if I should
> still use the configuration flag FC=ifort (I had used the intel
> fortran compiler to make the serial version).  Also, using the default
> configuration script, it does not detect a native mpi support.    If I
> use the command configure --with-mpi-prefix=/opt/mpich/include (this
> is where mpi.h is) it also can't find anything.  If I use the
> directory /opt/mpich/ch-p4 it can at least find that there is a
> general parallel environment, but does not recognize it as mpi.  This
> also does not put a copy of abinip in the ~abinit/src/main directory. 
> Attempting to run make and then make install or make multi and make
> install both give errors.  In the tutorial, it says to replace a
> directory in the line with a directory you have already written down,
> but early in the same paragraph it says to take note of the location
> of the mpi.h file, the name and location of the MPI library file
> ending in .a (which of the many library files I'm not sure) and the
> dependencies of the MPI Library.  The tutorial I'm reading from is
> http://www.abinit.org/Infos_v5.5/tutorial/lesson_parallelism.html
>
> I know discussions of compilation of abinit, and specifically how to
> compile and use the parallel version have come up before, but I have 4
> years of this forum saved on my hard drive, and searching for parallel
> or compilation problems yields far to many results.  If anyone has any
> clarification, that would be greatly appreciated. Thanks,
> James Johns
> UC Berkeley