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=== modifié fichier src/98_main/mrgddb.F90
--- src/98_main/mrgddb.F90   2009-05-07 17:39:48 +0000
+++ src/98_main/mrgddb.F90   2009-07-02 22:35:08 +0000
@@ -46,7 +46,11 @@
 program mrgddb
 
  use defs_basis
+ use defs_abitypes
  use m_build_info
+#if defined HAVE_MPI && defined HAVE_MPI2
+ use mpi
+#endif
 
 !This section has been created automatically by the script Abilint (TD).
 !Do not modify the following lines by hand.
@@ -58,6 +62,9 @@
 !End of the abilint section
 
  implicit none
+#if defined HAVE_MPI && defined HAVE_MPI1
+ include 'mpif.h'
+#endif
 
 !Arguments -----------------------------------
 
@@ -71,7 +78,8 @@
 !Define input and output unit numbers:
  integer,parameter :: ddbun=2,unit00=1
  integer :: choice,dimekb,dimekb_tmp,fullinit,fullinit8,iblok,iblok1,iblok2
- integer :: iddb,ii,intxc,intxc8,iscf,iscf8,ixc,ixc8,lmnmax,lnmax,matom,mband
+ integer :: iddb,ierr,ii,intxc,intxc8,iscf,iscf8,ixc,ixc8,lmnmax,lnmax,matom
+ integer :: mband
  integer :: mband_tmp,mblktyp,mblok,mkpt,mpert,msize,msize_tmp,mtypat,natom
  integer :: natom8,nblok,nblok8,nblokt,nddb,nkpt,nkpt8,nline,nq,nspden,nspden8
  integer :: nspinor,nspinor8,nsppo8,nsppol,nsym,nsym8,ntypat,ntypat8,nunit
@@ -96,10 +104,62 @@
  character(len=fnlen) :: filnam(mddb+1)
  character(len=strlen) :: string
  character(len=500) :: message
+ type(MPI_type) :: mpi_enreg
 
 !******************************************************************
 !BEGIN EXECUTABLE SECTION
 
+! Initialize MPI : one should write a separate routine -init_mpi_enreg-
+! for doing that !!
+
+!Default for sequential use
+ mpi_enreg%world_comm=0
+ mpi_enreg%world_group=0
+ mpi_enreg%me=0
+ mpi_enreg%nproc=1
+ mpi_enreg%num_group_fft = 0 ! in some cases not initialized but referenced in xdef_comm.F90
+ mpi_enreg%paral_compil=0
+ mpi_enreg%paral_compil_mpio=0
+!MG080916 If we want to avoid MPI preprocessing options, %proc_distr should be always allocated and 
+!set to mpi_enreg%me. In such a way we can safely test its value inside loops parallelized over k-points 
+!For the time being, do not remove this line since it is needed in outkss.F90.
+ nullify(mpi_enreg%proc_distrb)
+
+!Initialize MPI
+#if defined HAVE_MPI
+           call MPI_INIT(ierr)
+           mpi_enreg%world_comm=MPI_COMM_WORLD
+           mpi_enreg%world_group=MPI_GROUP_NULL
+           call MPI_COMM_RANK(MPI_COMM_WORLD,mpi_enreg%me,ierr)
+           call MPI_COMM_SIZE(MPI_COMM_WORLD,mpi_enreg%nproc,ierr)
+!          write(6,*)' abinit : nproc,me=',mpi_enreg%nproc,mpi_enreg%me
+           mpi_enreg%paral_compil=1
+#endif
+
+!Signal MPI I/O compilation has been activated
+#if defined HAVE_MPI_IO
+           mpi_enreg%paral_compil_mpio=1
+           if(mpi_enreg%paral_compil==0)then
+            write(message,'(6a)') ch10,&
+&            ' abinit : ERROR -',ch10,&
+&            '  In order to use MPI_IO, you must compile with the MPI flag ',ch10,&
+&            '  Action : recompile your code with different CPP flags.'
+            call wrtout(06,message,'COLL')
+            call leave_new('COLL')
+           end if
+#endif
+
+!Initialize spaceComm, used in leave_test
+ mpi_enreg%spaceComm=mpi_enreg%world_comm
+!Initialize paral_compil_kpt, actually always equal to paral_compil
+!(paral_compil_kpt should be suppressed after big cleaning)
+ mpi_enreg%paral_compil_kpt=0
+ if(mpi_enreg%paral_compil==1) mpi_enreg%paral_compil_kpt=1
+
+!Other values of mpi_enreg are dataset dependent, and should NOT be initialized
+!inside mrgddb.F90.
+
+
  codename='MRGDDB'//repeat(' ',18)
  call herald(codename,abinit_version,std_out)
 !YP: calling dump_config() makes tests fail => commented
@@ -504,5 +564,9 @@
  write(message, '(a)' )'+mrgddb : the run completed successfully '
  call wrtout(6,message,'COLL')
 
- end program
+#if defined HAVE_MPI
+ call MPI_FINALIZE(ierr)
+#endif
+
+end program mrgddb
 !!***