--- trunk/OOPSE/libmdtools/mpiSimulation_module.F90	2003/08/13 21:20:20	694
+++ trunk/OOPSE/libmdtools/mpiSimulation_module.F90	2003/12/17 20:13:33	882
@@ -7,12 +7,12 @@
 !!
 !! @author Charles F. Vardeman II
 !! @author Matthew Meineke
-!! @version $Id: mpiSimulation_module.F90,v 1.6 2003-08-13 21:20:20 chuckv Exp $, $Date: 2003-08-13 21:20:20 $, $Name: not supported by cvs2svn $, $Revision: 1.6 $
+!! @version $Id: mpiSimulation_module.F90,v 1.10 2003-12-17 20:13:33 chuckv Exp $, $Date: 2003-12-17 20:13:33 $, $Name: not supported by cvs2svn $, $Revision: 1.10 $
 
 module mpiSimulation  
   use definitions
 #ifdef IS_MPI
-  use mpi
+  use oopseMPI
   implicit none
   PRIVATE
 
@@ -32,7 +32,7 @@ module mpiSimulation  
 !! PUBLIC  Subroutines contained in MPI module
   public :: mpi_bcast
   public :: mpi_allreduce
-  public :: mpi_reduce
+!  public :: mpi_reduce
   public :: mpi_send
   public :: mpi_recv
   public :: mpi_get_processor_name
@@ -52,16 +52,16 @@ module mpiSimulation  
 
 !! Safety logical to prevent access to ComponetPlan until
 !! set by C++.
-  logical :: ComponentPlanSet = .false.
+  logical, save :: ComponentPlanSet = .false.
 
 
 !! generic mpi error declaration.
-  integer,public  :: mpi_err
+  integer, public :: mpi_err
 
 #ifdef PROFILE
   public :: printCommTime
 
-  real(kind = dp ) :: commTime = 0.0_dp
+  real(kind = dp ), save :: commTime = 0.0_dp
   real(kind = dp ) :: commTimeInitial,commTimeFinal
 #endif
 
@@ -73,15 +73,15 @@ module mpiSimulation  
 
 
 !! Tags used during force loop for parallel simulation
-  integer, allocatable, dimension(:) :: tagLocal
+  integer, public, allocatable, dimension(:) :: tagLocal
   integer, public, allocatable, dimension(:) :: tagRow
   integer, public, allocatable, dimension(:) :: tagColumn
 
 !! Logical set true if mpiSimulation has been initialized
-  logical :: isSimSet = .false.
+  logical, save :: isSimSet = .false.
 
 
-  type (mpiComponentPlan) :: mpiSim
+  type (mpiComponentPlan), save :: mpiSim
 
 !! gs_plan contains plans for gather and scatter routines
   type, public :: gs_plan
@@ -97,12 +97,12 @@ module mpiSimulation  
   end type gs_plan
 
 ! plans for different decompositions
-  type (gs_plan), public :: plan_row
-  type (gs_plan), public :: plan_row3d
-  type (gs_plan), public :: plan_col
-  type (gs_plan), public :: plan_col3d
-  type(gs_plan),  public :: plan_row_Rotation
-  type(gs_plan),  public :: plan_col_Rotation
+  type (gs_plan), public, save :: plan_row
+  type (gs_plan), public, save :: plan_row3d
+  type (gs_plan), public, save :: plan_col
+  type (gs_plan), public, save :: plan_col3d
+  type (gs_plan),  public, save :: plan_row_Rotation
+  type (gs_plan),  public, save :: plan_col_Rotation
 
   type (mpiComponentPlan), pointer :: simComponentPlan
 
@@ -471,9 +471,9 @@ contains
 
   subroutine gather_integer( sbuffer, rbuffer, this_plan, status)
 
-    type (gs_plan), intent(in) :: this_plan
-    integer, dimension(:), intent(in) :: sbuffer
-    integer, dimension(:), intent(in) :: rbuffer
+    type (gs_plan), intent(inout) :: this_plan
+    integer, dimension(:), intent(inout) :: sbuffer
+    integer, dimension(:), intent(inout) :: rbuffer
     integer :: noffset
     integer, intent(out), optional :: status
     integer :: i
@@ -503,8 +503,8 @@ contains
   subroutine gather_double( sbuffer, rbuffer, this_plan, status)
 
     type (gs_plan), intent(in) :: this_plan
-    real( kind = DP ), dimension(:), intent(in) :: sbuffer
-    real( kind = DP ), dimension(:), intent(in) :: rbuffer
+    real( kind = DP ), dimension(:), intent(inout) :: sbuffer
+    real( kind = DP ), dimension(:), intent(inout) :: rbuffer
     integer :: noffset
     integer, intent(out), optional :: status
 
@@ -531,8 +531,8 @@ contains
   subroutine gather_double_2d( sbuffer, rbuffer, this_plan, status)
 
     type (gs_plan), intent(in) :: this_plan
-    real( kind = DP ), dimension(:,:), intent(in) :: sbuffer
-    real( kind = DP ), dimension(:,:), intent(in) :: rbuffer
+    real( kind = DP ), dimension(:,:), intent(inout) :: sbuffer
+    real( kind = DP ), dimension(:,:), intent(inout) :: rbuffer
     integer :: noffset,i,ierror
     integer, intent(out), optional :: status
     
@@ -563,8 +563,8 @@ contains
   subroutine scatter_double( sbuffer, rbuffer, this_plan, status)
 
     type (gs_plan), intent(in) :: this_plan
-    real( kind = DP ), dimension(:), intent(in) :: sbuffer
-    real( kind = DP ), dimension(:), intent(in) :: rbuffer
+    real( kind = DP ), dimension(:), intent(inout) :: sbuffer
+    real( kind = DP ), dimension(:), intent(inout) :: rbuffer
     integer, intent(out), optional :: status
     external mpi_reduce_scatter
 
@@ -589,8 +589,8 @@ contains
   subroutine scatter_double_2d( sbuffer, rbuffer, this_plan, status)
 
     type (gs_plan), intent(in) :: this_plan
-    real( kind = DP ), dimension(:,:), intent(in) :: sbuffer
-    real( kind = DP ), dimension(:,:), intent(in) :: rbuffer
+    real( kind = DP ), dimension(:,:), intent(inout) :: sbuffer
+    real( kind = DP ), dimension(:,:), intent(inout) :: rbuffer
     integer, intent(out), optional :: status
     external mpi_reduce_scatter
  
@@ -626,7 +626,26 @@ contains
 ! allocate row arrays
     nrow = getNrow(plan_row)
     ncol = getNcol(plan_col)
+    
+    if(.not. allocated(tagLocal)) then
+       allocate(tagLocal(size(tags)),STAT=alloc_stat)
+        if (alloc_stat /= 0 ) then
+          status = -1 
+          return
+       endif
+    else
+       deallocate(tagLocal)
+       allocate(tagLocal(size(tags)),STAT=alloc_stat)
+       if (alloc_stat /= 0 ) then
+          status = -1 
+          return
+       endif
 
+    endif
+
+    tagLocal = tags
+
+    
     if (.not. allocated(tagRow)) then
        allocate(tagRow(nrow),STAT=alloc_stat)
        if (alloc_stat /= 0 ) then
@@ -661,15 +680,18 @@ contains
     call gather(tags,tagRow,plan_row)
     call gather(tags,tagColumn,plan_col)
 
+   
   end subroutine setTags
 
-  pure function getNcol(thisplan) result(ncol)
+!  pure function getNcol(thisplan) result(ncol)
+  function getNcol(thisplan) result(ncol)
     type (gs_plan), intent(in) :: thisplan
     integer :: ncol
     ncol = thisplan%gsComponentPlan%nComponentsColumn
   end function getNcol
 
-  pure function getNrow(thisplan) result(nrow)
+!  pure function getNrow(thisplan) result(nrow)
+  function getNrow(thisplan) result(nrow)
     type (gs_plan), intent(in) :: thisplan
     integer :: nrow
     nrow = thisplan%gsComponentPlan%nComponentsRow