- further clean-ups

git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12762 c92efa57-630b-4861-b058-cf58834340f0

CPV/src/init.f90

@@ -34,9 +34,9 @@
       use gvecs,                only: gcutms, gvecs_init
       use gvecw,                only: gkcut, gvecw_init, g2kin_init
       USE smallbox_subs,        ONLY: ggenb
-      USE fft_base,             ONLY: dfftp, dffts, dfftb, dfft3d, dtgs
+      USE fft_base,             ONLY: dfftp, dffts, dfftb, dfft3d, dtgs, fft_base_info
       USE fft_smallbox,         ONLY: cft_b_omp_init
-      USE stick_set,            ONLY: pstickset, smap
+      USE stick_set,            ONLY: smap
       USE control_flags,        ONLY: gamma_only, smallmem
       USE electrons_module,     ONLY: bmeshset
       USE electrons_base,       ONLY: distribute_bands
@@ -141,7 +141,16 @@
       !        for a left-handed triplet, ainv is minus the inverse of a)
       !
       CALL task_groups_init( dffts, dtgs, ntask_groups )
-      CALL pstickset( gamma_only, dfftp, dffts, ngw_ , ngm_ , ngs_ , ionode, stdout )
+      CALL fft_base_info( ionode, stdout )
+      ngw_ = dffts%nwl( dffts%mype + 1 )
+      ngs_ = dffts%ngl( dffts%mype + 1 )
+      ngm_ = dfftp%ngl( dfftp%mype + 1 )
+      IF( gamma_only ) THEN
+         ngw_ = (ngw_ + 1)/2
+         ngs_ = (ngs_ + 1)/2
+         ngm_ = (ngm_ + 1)/2
+      END IF
+
       !
       ! ... Initialize reciprocal space local and global dimensions
       !     NOTE in a parallel run ngm_ , ngw_ , ngs_ here are the 

FFTXlib/make.depend

@@ -12,7 +12,6 @@ fft_types.o : fft_support.o
 fft_types.o : stick_base.o
 scatter_mod.o : fft_types.o
 scatter_mod.o : task_groups.o
-stick_set.o : fft_types.o
 stick_set.o : stick_base.o
 task_groups.o : fft_types.o
 test.o : fft_parallel.o

FFTXlib/stick_set.f90

@@ -14,18 +14,15 @@
 !  ... initialize FFT descriptors for both dense and smooth grids
 
       USE stick_base
-      USE fft_types
 
       IMPLICIT NONE
 
-      INTEGER, PARAMETER :: DP = selected_real_kind(14,200)
-
       PRIVATE
       SAVE
 
       TYPE(sticks_map) :: smap
 
-      PUBLIC :: pstickset,  pstickdealloc
+      PUBLIC :: pstickdealloc
       PUBLIC :: smap
 
 !=----------------------------------------------------------------------=
@@ -36,58 +33,6 @@
          CALL sticks_map_deallocate( smap )
       END SUBROUTINE pstickdealloc
 
-
-!=----------------------------------------------------------------------=
-
-      SUBROUTINE pstickset( lgamma, dfftp, dffts, ngw, ngm, ngs, ionode, stdout )
-
-          TYPE(fft_type_descriptor), INTENT(inout) :: dfftp, dffts
-          INTEGER, INTENT(out) :: ngw, ngm, ngs
-          LOGICAL, INTENT(IN) :: ionode, lgamma
-          INTEGER, INTENT(IN) :: stdout
-          !
-          !  Initialize task groups descriptor
-          !
-          ngw = dffts%nwl( dffts%mype + 1 )
-          ngs = dffts%ngl( dffts%mype + 1 )
-          ngm = dfftp%ngl( dfftp%mype + 1 )
-          !
-          IF( lgamma ) THEN
-             ngw = (ngw + 1)/2
-             ngs = (ngs + 1)/2
-             ngm = (ngm + 1)/2
-          END IF
-          !
-          IF (ionode) THEN
-             WRITE( stdout,*)
-             IF ( dfftp%nproc > 1 ) THEN
-                WRITE( stdout, '(5X,"Parallelization info")')
-             ELSE
-                WRITE( stdout, '(5X,"G-vector sticks info")')
-             ENDIF
-             WRITE( stdout, '(5X,"--------------------")')
-             WRITE( stdout, '(5X,"sticks:   dense  smooth     PW", &
-                            & 5X,"G-vecs:    dense   smooth      PW")') 
-             IF ( dfftp%nproc > 1 ) THEN
-                WRITE( stdout,'(5X,"Min",4X,2I8,I7,12X,2I9,I8)') &
-                   minval(dfftp%nsp), minval(dffts%nsp), minval(dffts%nsw), &
-                   minval(dfftp%ngl), minval(dffts%ngl), minval(dffts%nwl)
-                WRITE( stdout,'(5X,"Max",4X,2I8,I7,12X,2I9,I8)') &
-                   maxval(dfftp%nsp), maxval(dffts%nsp), maxval(dffts%nsw), &
-                   maxval(dfftp%ngl), maxval(dffts%ngl), maxval(dffts%nwl)
-             END IF
-             WRITE( stdout,'(5X,"Sum",4X,2I8,I7,12X,2I9,I8)') &
-                sum(dfftp%nsp), sum(dffts%nsp), sum(dffts%nsw), &
-                sum(dfftp%ngl), sum(dffts%ngl), sum(dffts%nwl)
-          ENDIF
-
-          IF(ionode) WRITE( stdout,*)
-
-          RETURN
-        END SUBROUTINE pstickset
-
-
-
 !=----------------------------------------------------------------------=
    END MODULE stick_set
 !=----------------------------------------------------------------------=

Modules/fft_base.f90

@@ -49,7 +49,45 @@
 
         PUBLIC :: dfftp, dffts, dfft3d, fft_type_descriptor
         PUBLIC :: dtgs, task_groups_descriptor
-        PUBLIC :: dfftb, fft_box_descriptor
+        PUBLIC :: dfftb, fft_box_descriptor, fft_base_info
+
+   CONTAINS
+
+
+      SUBROUTINE fft_base_info( ionode, stdout )
+
+          LOGICAL, INTENT(IN) :: ionode
+          INTEGER, INTENT(IN) :: stdout
+          !
+          !  Display fft basic information
+          !
+          IF (ionode) THEN
+             WRITE( stdout,*)
+             IF ( dfftp%nproc > 1 ) THEN
+                WRITE( stdout, '(5X,"Parallelization info")')
+             ELSE
+                WRITE( stdout, '(5X,"G-vector sticks info")')
+             ENDIF
+             WRITE( stdout, '(5X,"--------------------")')
+             WRITE( stdout, '(5X,"sticks:   dense  smooth     PW", &
+                            & 5X,"G-vecs:    dense   smooth      PW")') 
+             IF ( dfftp%nproc > 1 ) THEN
+                WRITE( stdout,'(5X,"Min",4X,2I8,I7,12X,2I9,I8)') &
+                   minval(dfftp%nsp), minval(dffts%nsp), minval(dffts%nsw), &
+                   minval(dfftp%ngl), minval(dffts%ngl), minval(dffts%nwl)
+                WRITE( stdout,'(5X,"Max",4X,2I8,I7,12X,2I9,I8)') &
+                   maxval(dfftp%nsp), maxval(dffts%nsp), maxval(dffts%nsw), &
+                   maxval(dfftp%ngl), maxval(dffts%ngl), maxval(dffts%nwl)
+             END IF
+             WRITE( stdout,'(5X,"Sum",4X,2I8,I7,12X,2I9,I8)') &
+                sum(dfftp%nsp), sum(dffts%nsp), sum(dffts%nsw), &
+                sum(dfftp%ngl), sum(dffts%ngl), sum(dffts%nwl)
+          ENDIF
+
+          IF(ionode) WRITE( stdout,*)
+
+          RETURN
+        END SUBROUTINE fft_base_info
 
 !=----------------------------------------------------------------------=!
    END MODULE fft_base

PW/src/data_structure.f90

@@ -18,20 +18,20 @@ SUBROUTINE data_structure( gamma_only )
   USE mp_bands,   ONLY : me_bgrp, nproc_bgrp, root_bgrp, intra_bgrp_comm, &
                          ntask_groups
   USE mp_pools,   ONLY : inter_pool_comm
-  USE fft_base,   ONLY : dfftp, dffts, dtgs
+  USE fft_base,   ONLY : dfftp, dffts, dtgs, fft_base_info
   USE fft_types,  ONLY : fft_type_init
   USE cell_base,  ONLY : at, bg, tpiba
   USE klist,      ONLY : xk, nks
   USE gvect,      ONLY : gcutm, gvect_init
   USE gvecs,      ONLY : gcutms, gvecs_init
-  USE stick_set,  ONLY : pstickset, smap
+  USE stick_set,  ONLY : smap
   USE gvecw,      ONLY : gcutw, gkcut
   USE io_global,  ONLY : stdout, ionode
   USE task_groups,ONLY : task_groups_init
   !
   IMPLICIT NONE
   LOGICAL, INTENT(in) :: gamma_only
-  INTEGER :: ik, ngm_, ngs_, ngw_
+  INTEGER :: ik, ngm_, ngs_
 #if defined(__MPI)
   LOGICAL :: lpara = .true.
 #else
@@ -66,7 +66,13 @@ SUBROUTINE data_structure( gamma_only )
   CALL fft_type_init( dffts, smap, "wave", gamma_only, lpara, intra_bgrp_comm, at, bg, gkcut, gcutms/gkcut )
   CALL fft_type_init( dfftp, smap, "rho", gamma_only, lpara, intra_bgrp_comm, at, bg,  gcutm )
   CALL task_groups_init( dffts, dtgs, ntask_groups )
-  CALL pstickset( gamma_only, dfftp, dffts, ngw_ , ngm_ , ngs_ , ionode, stdout )
+  CALL fft_base_info( ionode, stdout )
+  ngs_ = dffts%ngl( dffts%mype + 1 )
+  ngm_ = dfftp%ngl( dfftp%mype + 1 )
+  IF( gamma_only ) THEN
+     ngs_ = (ngs_ + 1)/2
+     ngm_ = (ngm_ + 1)/2
+  END IF
   !
   !     on output, ngm_ and ngs_ contain the local number of G-vectors
   !     for the two grids. Initialize local and global number of G-vectors