The ABINIT Users Mailing List ( CLOSED )

[Marc Torrent <marc.torrent@cea.fr>]

Dear Arai Masao,

I seems that you're using an "old" version of mpif...
Abinit's parallelization has been recently revised (by Mireille Boulet, 
here at the CEA-Bruyeres-le_Chatel, France) and these modifications are 
using the new version of the "mpif.h" where MPI_COMM_WOLRD is 91 and 
MPI_COMM_SELF is 92.
(In fact, in older version of mpif.h, MPI_COMM_WORLD=0 and MPI_COMM_SELF=1).

If you want Abinit v433 to run on your Hitachi, you have to use a newer 
version of mpif.h (for ex. v1.2.5.2).


Regards,

Marc Torrent
CEA-Bruyeres-le-Chatel
France


Arai Masao a écrit :
> Dear all,
>
> I am a collaborator of Wang Yuan Xu who asked some questions
> about abinit on Hitachi SR-11000. Thank you for your kind replies.
>
> I found possible reason why the abinit-4.3.3 does not work on this machine
> in parallel mode.
>
> In SR11000, MPI_COMM_WORLD is defined to 0 in /usr/include/mpif.h.
> ---- mpif.h -----
>       integer*4 MPI_COMM_WORLD,MPI_COMM_SELF
>       parameter (MPI_COMM_WORLD=0,MPI_COMM_SELF=1)
> ------------------
>
> Unfortunately, the zero has special meaning in 
> Src_1managempi/xdef_comm.f and
> Src_1managempi/xfuncmpi.f.
>
> --- xdeff_comm.f ----
>  subroutine xcomm_world(spaceComm)
>      [ lines deleted]
>  integer  :: spaceComm
> #          if defined MPI
>                 spaceComm = MPI_COMM_WORLD
> #          else
>                 spaceComm = 0
> #          endif
> --------------------------------
>
> --- xfuncmpi.f  ----
>  subroutine xsum_mpi_int(xval,spaceComm,ier)
>         [lines deleted]
> #          if defined MPI || defined MPI_FFT
>                 integer , allocatable :: xsum(:)
>                 if (spaceComm /= 0) then                   <<<<<<<<<<<<  #1
>           !Accumulate xval on all proc. in spaceComm
>         [lines deleted]
>  end subroutine xsum_mpi_int
> -------
>
> With the  line indicated by "#1", if the spaceComm is set to 
> MPI_COMM_WORLD(=0),
> the mpi routines does not work properly.
> The version 4.2 does not have such checks. So, abinit-4.2 works properly
> even on SR11000.
>
> If we remove the  comparison between spaceComm and 0, the parallel mode
> seems to work properly. Is it safe to remove this comparison?
>
> --
> Masao ARAI
> National Institute for Materials Science (NIMS)
> Computational Materials Science Center
> First-Principles Simulation Group (II)
> mail: arai.masao@nims.go.jp