--- trunk/OOPSE/libmdtools/mpiSimulation_module.F90	2004/05/27 00:48:12	1198
+++ trunk/OOPSE/libmdtools/mpiSimulation_module.F90	2004/05/27 18:59:17	1203
@@ -7,7 +7,7 @@
 !!
 !! @author Charles F. Vardeman II
 !! @author Matthew Meineke
-!! @version $Id: mpiSimulation_module.F90,v 1.13 2004-05-27 00:48:12 tim Exp $, $Date: 2004-05-27 00:48:12 $, $Name: not supported by cvs2svn $, $Revision: 1.13 $
+!! @version $Id: mpiSimulation_module.F90,v 1.14 2004-05-27 18:59:15 gezelter Exp $, $Date: 2004-05-27 18:59:15 $, $Name: not supported by cvs2svn $, $Revision: 1.14 $
 
 module mpiSimulation  
   use definitions
@@ -139,45 +139,46 @@ contains
 
 contains
 
-!! Sets up mpiComponentPlan with structure passed from C++.
-  subroutine setupSimParallel(thisComponentPlan,nAtomTags,atomTags,status)
-!  Passed Arguments
+  !! Sets up mpiComponentPlan with structure passed from C++.
+  subroutine setupSimParallel(thisComponentPlan, nAtomTags, atomTags, &
+       status)
+    !! Passed Arguments
     !! mpiComponentPlan struct from C
     type (mpiComponentPlan), intent(inout) :: thisComponentPlan
-!! Number of tags passed, nlocal  
+    !! Number of tags passed
     integer, intent(in) :: nAtomTags
-!! Result status, 0 = normal, -1 = error
+    !! Result status, 0 = normal, -1 = error
     integer, intent(out) :: status
     integer :: localStatus
-!! Global reference tag for local particles
-    integer, dimension(nAtomTags),intent(inout) :: atomTags
+    !! Global reference tag for local particles
+    integer, dimension(nAtomTags), intent(inout) :: atomTags
 
-    write(*,*) 'mpiSim_mod thinks node', thisComponentPlan%myNode, &
-      ' has atomTags(1) = ', atomTags(1)
-
+    !write(*,*) 'mpiSim_mod thinks node', thisComponentPlan%myNode, &
+    !     ' has atomTags(1) = ', atomTags(1)
+    
     status = 0
     if (componentPlanSet) then
        return
     endif
     componentPlanSet = .true.
     
- !! copy c component plan to fortran   
+    !! copy c component plan to fortran   
     mpiSim = thisComponentPlan 
-    write(*,*) "Seting up simParallel"
-
+    !write(*,*) "Seting up simParallel"
+    
     call make_Force_Grid(mpiSim, localStatus)
     if (localStatus /= 0) then
        write(default_error,*) "Error creating force grid"
        status = -1
        return
     endif
-
+    
     call updateGridComponents(mpiSim, localStatus)
     if (localStatus /= 0) then
        write(default_error,*) "Error updating grid components"
        status = -1
        return
-    endif    
+    endif
 
     !! initialize gather and scatter plans used in this simulation
     call plan_gather_scatter(1, mpiSim%nAtomsLocal, &
@@ -267,13 +268,13 @@ contains
          
   end subroutine replanSimParallel
 
-!! Updates number of row and column components for long range forces.
-  subroutine updateGridComponents(thisComponentPlan,status)
+  !! Updates number of row and column components for long range forces.
+  subroutine updateGridComponents(thisComponentPlan, status)
     type (mpiComponentPlan) :: thisComponentPlan !! mpiComponentPlan
-
-!! Status return
-!! -  0 Success
-!! - -1 Failure
+    
+    !! Status return
+    !! -  0 Success
+    !! - -1 Failure
     integer, intent(out) :: status 
     integer :: nAtomsLocal
     integer :: nAtomsInRow = 0
@@ -291,6 +292,7 @@ contains
        return
     endif   
     if (thisComponentPlan%nGroupsLocal == 0) then
+       write(*,*) 'tcp%ngl = ', thisComponentPlan%nGroupsLocal
        status = -1
        return
     endif
@@ -334,13 +336,13 @@ contains
   end subroutine updateGridComponents
 
 
-!! Creates a square force decomposition of processors into row and column
-!! communicators.
+  !! Creates a square force decomposition of processors into row and column
+  !! communicators.
   subroutine make_Force_Grid(thisComponentPlan,status)
     type (mpiComponentPlan) :: thisComponentPlan
     integer, intent(out) :: status !! status returns -1 if error
-    integer ::  nColumnsMax !! Maximum number of columns
-    integer ::  nWorldProcessors !! Total number of processors in World comm.
+    integer :: nColumnsMax !! Maximum number of columns
+    integer :: nWorldProcessors !! Total number of processors in World comm.
     integer :: rowIndex !! Row for this processor.
     integer :: columnIndex !! Column for this processor.
     integer :: nRows !! Total number of rows.
@@ -355,8 +357,8 @@ contains
     if (.not. ComponentPlanSet) return
     status = 0
   
-!! We make a dangerous assumption here that if numberProcessors is
-!! zero, then we need to get the information from MPI.
+    !! We make a dangerous assumption here that if numberProcessors is
+    !! zero, then we need to get the information from MPI.
     if (thisComponentPlan%nProcessors == 0 ) then 
        call mpi_comm_size( MPI_COMM_WORLD, nWorldProcessors,mpiErrors)
        if ( mpiErrors /= 0 ) then
@@ -368,29 +370,29 @@ contains
           status = -1 
           return
        endif
-
+       
     else
        nWorldProcessors = thisComponentPlan%nProcessors
        myWorldRank = thisComponentPlan%myNode
     endif
-
+    
     nColumnsMax = nint(sqrt(real(nWorldProcessors,kind=dp)))
-
+    
     do i = 1, nColumnsMax
        if (mod(nWorldProcessors,i) == 0) nColumns = i
     end do
-
+    
     nRows = nWorldProcessors/nColumns
-
+    
     rowIndex = myWorldRank/nColumns
-
+    
     call mpi_comm_split(mpi_comm_world,rowIndex,0,rowCommunicator,mpiErrors)
     if ( mpiErrors /= 0 ) then
        write(default_error,*) "MPI comm split failed at row communicator"
        status = -1 
        return
     endif
-
+    
     columnIndex = mod(myWorldRank,nColumns)
     call mpi_comm_split(mpi_comm_world,columnIndex,0,columnCommunicator,mpiErrors)
     if ( mpiErrors /= 0 ) then
@@ -398,8 +400,8 @@ contains
        status = -1 
        return
     endif
-
-! Set appropriate components of thisComponentPlan
+    
+    ! Set appropriate components of thisComponentPlan
     thisComponentPlan%rowComm = rowCommunicator
     thisComponentPlan%columnComm = columnCommunicator
     thisComponentPlan%rowIndex = rowIndex
@@ -408,7 +410,7 @@ contains
     thisComponentPlan%nColumns = nColumns
 
   end subroutine make_Force_Grid
-
+  
   !! initalizes a gather scatter plan
   subroutine plan_gather_scatter( nDim, nObjects, thisComponentPlan, &
        thisComm, this_plan, status)