mp_global replaced with more apropriate modules in Modules/

Corrections by Axel to last commit


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@10534 c92efa57-630b-4861-b058-cf58834340f0

Modules/becmod.f90

@@ -77,8 +77,8 @@ MODULE becmod
   SUBROUTINE calbec_bec_type ( npw, beta, psi, betapsi, nbnd )
     !-----------------------------------------------------------------------
     !_
-    USE mp_global, ONLY: intra_bgrp_comm
-    USE mp, ONLY: mp_size, mp_rank, mp_get_comm_null
+    USE mp_bands, ONLY: intra_bgrp_comm
+    USE mp,       ONLY: mp_size, mp_rank, mp_get_comm_null
     !
     IMPLICIT NONE
     COMPLEX (DP), INTENT (in) :: beta(:,:), psi(:,:)
@@ -141,7 +141,7 @@ END SUBROUTINE calbec_bec_type
   !-----------------------------------------------------------------------
   SUBROUTINE calbec_gamma_nocomm ( npw, beta, psi, betapsi, nbnd )
     !-----------------------------------------------------------------------
-    USE mp_global, ONLY: intra_bgrp_comm
+    USE mp_bands, ONLY: intra_bgrp_comm
     IMPLICIT NONE
     COMPLEX (DP), INTENT (in) :: beta(:,:), psi(:,:)
     REAL (DP), INTENT (out) :: betapsi(:,:)
@@ -223,8 +223,8 @@ SUBROUTINE calbec_k ( npw, beta, psi, betapsi, nbnd )
     ! ... matrix times matrix with summation index (k=1,npw) running on
     ! ... G-vectors or PWs : betapsi(i,j) = \sum_k beta^*(i,k) psi(k,j)
     !
-    USE mp_global, ONLY : intra_bgrp_comm
-    USE mp,        ONLY : mp_sum
+    USE mp_bands, ONLY : intra_bgrp_comm
+    USE mp,       ONLY : mp_sum
 
     IMPLICIT NONE
     COMPLEX (DP), INTENT (in) :: beta(:,:), psi(:,:)
@@ -283,8 +283,8 @@ SUBROUTINE calbec_nc ( npw, beta, psi, betapsi, nbnd )
     ! ... betapsi(i,1,j) = \sum_k=1,npw beta^*(i,k) psi(k,j)
     ! ... betapsi(i,2,j) = \sum_k=1,npw beta^*(i,k) psi(k+npwx,j)
     !
-    USE mp_global, ONLY : intra_bgrp_comm
-    USE mp,        ONLY : mp_sum
+    USE mp_bands, ONLY : intra_bgrp_comm
+    USE mp,       ONLY : mp_sum
 
     IMPLICIT NONE
     COMPLEX (DP), INTENT (in) :: beta(:,:), psi(:,:)

Modules/check_stop.f90

@@ -75,7 +75,7 @@ FUNCTION check_stop_now( inunit )
        !-----------------------------------------------------------------------
        !
        USE mp,         ONLY : mp_bcast
-       USE mp_global,  ONLY : intra_image_comm
+       USE mp_images,  ONLY : intra_image_comm
        USE io_global,  ONLY : ionode, ionode_id, meta_ionode, stdout
        USE io_files,   ONLY : tmp_dir, exit_file, iunexit
 #if defined __TRAP_SIGUSR1

Modules/clocks.f90

@@ -93,7 +93,7 @@ SUBROUTINE start_clock( label )
   USE kinds,     ONLY : DP
   USE io_global, ONLY : stdout
 #if defined (__TRACE)
-  USE mp_global, ONLY : mpime
+  USE mp_world,  ONLY : mpime
 #endif
   USE mytime,    ONLY : nclock, clock_label, notrunning, no, maxclock, &
                         t0cpu, t0wall, trace_depth
@@ -164,7 +164,7 @@ SUBROUTINE stop_clock( label )
   USE kinds,     ONLY : DP
   USE io_global, ONLY : stdout
 #if defined (__TRACE)
-  USE mp_global, ONLY : mpime
+  USE mp_world,  ONLY : mpime
 #endif
   USE mytime,    ONLY : no, nclock, clock_label, cputime, walltime, &
                         notrunning, called, t0cpu, t0wall, trace_depth
@@ -285,7 +285,7 @@ SUBROUTINE print_this_clock( n )
 ! ... See comments below about parallel case
 !
 !  USE mp,        ONLY : mp_max
-!  USE mp_global, ONLY : intra_image_comm, my_image_id
+!  USE mp_images, ONLY : intra_image_comm, my_image_id
   !
   IMPLICIT NONE
   !
@@ -429,7 +429,7 @@ FUNCTION get_clock( label )
 ! ... See comments in subroutine print_this_clock about parallel case
 !
 !  USE mp,        ONLY : mp_max
-!  USE mp_global, ONLY : intra_image_comm
+!  USE mp_images, ONLY : intra_image_comm
   !
   IMPLICIT NONE
   !

Modules/compute_dipole.f90

@@ -16,7 +16,7 @@ SUBROUTINE compute_dipole( nnr, nspin, rho, r0, dipole, quadrupole )
   USE kinds,            ONLY : DP
   USE cell_base,        ONLY : at, bg, alat, omega
   USE fft_base,         ONLY : dfftp
-  USE mp_global,        ONLY : me_bgrp, intra_bgrp_comm
+  USE mp_bands,         ONLY : me_bgrp, intra_bgrp_comm
   USE mp,               ONLY : mp_sum
   !
   IMPLICIT NONE

Modules/dspev_drv.f90

@@ -650,7 +650,8 @@ END SUBROUTINE dspev_drv
 
   SUBROUTINE pdsyevd_drv( tv, n, nb, s, lds, w, ortho_cntx )
      USE kinds,     ONLY : DP
-     USE mp_global,   ONLY: nproc_bgrp, me_bgrp, intra_bgrp_comm,root_bgrp,ortho_comm
+     USE mp_bands,  ONLY: nproc_bgrp, me_bgrp, intra_bgrp_comm, root_bgrp
+     USE mp_diag,   ONLY: ortho_comm
 #ifdef __ELPA
      USE elpa1
 #endif

Modules/environment.f90

@@ -13,8 +13,12 @@ MODULE environment
   USE kinds, ONLY: DP
   USE io_files, ONLY: crash_file, nd_nmbr
   USE io_global, ONLY: stdout, meta_ionode
-  USE mp_global, ONLY: me_image, my_image_id, root_image, nimage, &
-      nproc_image, nproc, npool, nproc_bgrp, nbgrp, get_ntask_groups
+  USE mp_global, ONLY: get_ntask_groups
+  USE mp_world,  ONLY: nproc
+  USE mp_images, ONLY: me_image, my_image_id, root_image, nimage, &
+      nproc_image
+  USE mp_pools,  ONLY: npool
+  USE mp_bands,  ONLY: nproc_bgrp, nbgrp
   USE global_version, ONLY: version_number, svn_revision
 
   IMPLICIT NONE

Modules/error_handler.f90

@@ -24,8 +24,8 @@ SUBROUTINE errore( calling_routine, message, ierr )
   ! ... error, unit 0 (the message will appear in the error files 
   ! ... produced by loadleveler).
   !
-  USE mp, ONLY : mp_abort
-  USE mp_global, ONLY : mpime, world_comm
+  USE mp,        ONLY : mp_abort
+  USE mp_world,  ONLY : mpime, world_comm
   USE io_global, ONLY : stdout
   USE io_files,  ONLY : crash_file
 #if defined(__PTRACE) && defined(__INTEL)

Modules/generate_function.f90

@@ -27,7 +27,7 @@ SUBROUTINE generate_gaussian( nnr, charge, spread, pos, rho )
       USE constants,        ONLY : sqrtpi
       USE cell_base,        ONLY : at, bg, alat
       USE fft_base,         ONLY : dfftp
-      USE mp_global,        ONLY : me_bgrp, intra_bgrp_comm
+      USE mp_bands,         ONLY : me_bgrp, intra_bgrp_comm
       !
       IMPLICIT NONE
       !
@@ -117,7 +117,7 @@ SUBROUTINE generate_gradgaussian( nnr, charge, spread, pos, gradrho )
       USE constants,        ONLY: sqrtpi
       USE cell_base,        ONLY : at, bg, alat
       USE fft_base,         ONLY : dfftp
-      USE mp_global,        ONLY : me_bgrp, intra_bgrp_comm
+      USE mp_bands,         ONLY : me_bgrp, intra_bgrp_comm
       !
       IMPLICIT NONE
       !
@@ -206,7 +206,7 @@ SUBROUTINE generate_exponential( nnr, spread, pos, rho )
       USE kinds,            ONLY : DP
       USE cell_base,        ONLY : at, bg, alat
       USE fft_base,         ONLY : dfftp
-      USE mp_global,        ONLY : me_bgrp, intra_bgrp_comm
+      USE mp_bands,         ONLY : me_bgrp, intra_bgrp_comm
       !
       IMPLICIT NONE
       !
@@ -300,7 +300,7 @@ SUBROUTINE generate_gradexponential( nnr, spread, pos, gradrho )
       USE kinds,            ONLY : DP
       USE cell_base,        ONLY : at, bg, alat
       USE fft_base,         ONLY : dfftp
-      USE mp_global,        ONLY : me_bgrp, intra_bgrp_comm
+      USE mp_bands,         ONLY : me_bgrp, intra_bgrp_comm
       !
       IMPLICIT NONE
       !
@@ -391,7 +391,7 @@ SUBROUTINE generate_axis( nnr, icor, pos, axis )
    USE kinds,            ONLY : DP
    USE cell_base,        ONLY : at, bg, alat
    USE fft_base,         ONLY : dfftp
-   USE mp_global,        ONLY : me_bgrp, intra_bgrp_comm
+   USE mp_bands,         ONLY : me_bgrp, intra_bgrp_comm
   !
   INTEGER, INTENT(IN) :: nnr
   INTEGER, INTENT(IN) :: icor
@@ -463,7 +463,7 @@ SUBROUTINE generate_distance( nnr, pos, distance )
    USE kinds,            ONLY : DP
    USE cell_base,        ONLY : at, bg, alat
    USE fft_base,         ONLY : dfftp
-   USE mp_global,        ONLY : me_bgrp, intra_bgrp_comm
+   USE mp_bands,         ONLY : me_bgrp, intra_bgrp_comm
   !
   INTEGER, INTENT(IN) :: nnr
   REAL(DP), INTENT(IN) :: pos(3)

Modules/griddim.f90

@@ -211,7 +211,7 @@ SUBROUTINE grid_set( bg, gcut, nr1, nr2, nr3 )
 ! ... declare modules
       USE kinds, ONLY: DP
       USE mp, ONLY: mp_max, mp_min, mp_sum
-      USE mp_global, ONLY: me_image, nproc_image,  intra_image_comm
+      USE mp_images, ONLY: me_image, nproc_image,  intra_image_comm
 
       IMPLICIT NONE
 

Modules/input_parameters.f90

@@ -264,12 +264,6 @@ MODULE input_parameters
           ! if memory = 'large' then QE tries to use (when implemented) algorithms using more memory
           !                     to enhance performance.
 
-! XXX may go away at some point
-#if defined (__MS2)
-        LOGICAL :: MS2_enabled = .false.       ! Enable the shared memory exchange in MS2
-        CHARACTER(len=256) :: MS2_handler = ' '! Name for the shared memory handler in MS2
-#endif
-
         NAMELIST / control / title, calculation, verbosity, restart_mode, &
           nstep, iprint, isave, tstress, tprnfor, dt, ndr, ndw, outdir,   &
           prefix, wfcdir, max_seconds, ekin_conv_thr, etot_conv_thr,      &
@@ -278,10 +272,6 @@ MODULE input_parameters
           tefield2, saverho, tabps, lkpoint_dir, use_wannier, lecrpa,     &
           tqmmm, vdw_table_name, lorbm, memory, point_label_type
 
-#if defined ( __MS2)
-        NAMELIST / control / MS2_enabled, MS2_handler
-#endif
-
 !
 !=----------------------------------------------------------------------------=!
 !  SYSTEM Namelist Input Parameters

Modules/make.depend

@@ -9,7 +9,7 @@ basic_algebra_routines.o : kind.o
 becmod.o : control_flags.o
 becmod.o : kind.o
 becmod.o : mp.o
-becmod.o : mp_global.o
+becmod.o : mp_bands.o
 becmod.o : noncol.o
 becmod.o : recvec.o
 bfgs_module.o : basic_algebra_routines.o
@@ -28,19 +28,19 @@ check_stop.o : io_files.o
 check_stop.o : io_global.o
 check_stop.o : kind.o
 check_stop.o : mp.o
-check_stop.o : mp_global.o
+check_stop.o : mp_images.o
 check_stop.o : set_signal.o
 clocks.o : io_global.o
 clocks.o : kind.o
-clocks.o : mp_global.o
+clocks.o : mp_world.o
 command_line_options.o : io_global.o
 command_line_options.o : mp.o
 command_line_options.o : mp_world.o
 compute_dipole.o : cell_base.o
 compute_dipole.o : fft_base.o
 compute_dipole.o : kind.o
 compute_dipole.o : mp.o
-compute_dipole.o : mp_global.o
+compute_dipole.o : mp_bands.o
 constants.o : kind.o
 constraints_module.o : basic_algebra_routines.o
 constraints_module.o : cell_base.o
@@ -52,7 +52,8 @@ constraints_module.o : kind.o
 control_flags.o : kind.o
 control_flags.o : parameters.o
 dspev_drv.o : kind.o
-dspev_drv.o : mp_global.o
+dspev_drv.o : mp_bands.o
+dspev_drv.o : mp_diag.o
 electrons_base.o : constants.o
 electrons_base.o : io_global.o
 electrons_base.o : kind.o
@@ -64,12 +65,16 @@ environ_input.o : parameters.o
 environment.o : io_files.o
 environment.o : io_global.o
 environment.o : kind.o
+environment.o : mp_bands.o
 environment.o : mp_global.o
+environment.o : mp_images.o
+environment.o : mp_pools.o
+environment.o : mp_world.o
 environment.o : version.o
 error_handler.o : io_files.o
 error_handler.o : io_global.o
 error_handler.o : mp.o
-error_handler.o : mp_global.o
+error_handler.o : mp_world.o
 fd_gradient.o : cell_base.o
 fd_gradient.o : fft_base.o
 fd_gradient.o : kind.o
@@ -107,13 +112,13 @@ generate_function.o : cell_base.o
 generate_function.o : constants.o
 generate_function.o : fft_base.o
 generate_function.o : kind.o
-generate_function.o : mp_global.o
+generate_function.o : mp_bands.o
 griddim.o : fft_scalar.o
 griddim.o : fft_types.o
 griddim.o : io_global.o
 griddim.o : kind.o
 griddim.o : mp.o
-griddim.o : mp_global.o
+griddim.o : mp_images.o
 input_parameters.o : kind.o
 input_parameters.o : parameters.o
 input_parameters.o : wannier_new.o
@@ -135,11 +140,13 @@ mm_dispersion.o : io_global.o
 mm_dispersion.o : ions_base.o
 mm_dispersion.o : kind.o
 mm_dispersion.o : mp.o
-mm_dispersion.o : mp_global.o
+mm_dispersion.o : mp_images.o
 mm_dispersion.o : mp_world.o
 mp.o : io_global.o
 mp.o : kind.o
 mp.o : parallel_include.o
+mp_atoms.o : mp.o
+mp_atoms.o : parallel_include.o
 mp_bands.o : mp.o
 mp_bands.o : parallel_include.o
 mp_base.o : kind.o
@@ -368,5 +375,5 @@ xml_io_base.o : wrappers.o
 zhpev_drv.o : io_global.o
 zhpev_drv.o : kind.o
 zhpev_drv.o : mp.o
-zhpev_drv.o : mp_global.o
+zhpev_drv.o : mp_diag.o
 fft_scalar.o : ../include/fft_defs.h

Modules/mm_dispersion.f90

@@ -300,7 +300,7 @@ FUNCTION energy_london ( alat , nat , ityp , at , bg , tau )
     ! and scal6 is a global scaling factor
     !
 #if defined __MPI
-    USE mp_global,    ONLY : me_image , nproc_image, intra_image_comm
+    USE mp_images,    ONLY : me_image , nproc_image, intra_image_comm
     USE mp,           ONLY : mp_sum
 #endif
     !
@@ -414,7 +414,7 @@ FUNCTION force_london ( alat , nat , ityp , at , bg , tau )
     !
     !
 #if defined __MPI
-    USE mp_global,    ONLY : me_image , nproc_image , intra_image_comm
+    USE mp_images,    ONLY : me_image , nproc_image , intra_image_comm
     USE mp,           ONLY : mp_sum
 #endif
     !
@@ -554,7 +554,7 @@ FUNCTION stres_london ( alat , nat , ityp , at , bg , tau , omega )
     !
     !
 #if defined __MPI
-    USE mp_global,    ONLY : me_image , nproc_image , intra_image_comm
+    USE mp_images,    ONLY : me_image , nproc_image , intra_image_comm
     USE mp,           ONLY : mp_sum
 #endif
     !