--- trunk/OOPSE/libmdtools/do_Forces.F90	2003/08/08 21:22:37	673
+++ trunk/OOPSE/libmdtools/do_Forces.F90	2003/10/30 18:59:20	845
@@ -4,7 +4,7 @@
 
 !! @author Charles F. Vardeman II
 !! @author Matthew Meineke
-!! @version $Id: do_Forces.F90,v 1.28 2003-08-08 21:22:37 chuckv Exp $, $Date: 2003-08-08 21:22:37 $, $Name: not supported by cvs2svn $, $Revision: 1.28 $
+!! @version $Id: do_Forces.F90,v 1.36 2003-10-30 18:59:20 gezelter Exp $, $Date: 2003-10-30 18:59:20 $, $Name: not supported by cvs2svn $, $Revision: 1.36 $
 
 module do_Forces
   use force_globals
@@ -45,6 +45,14 @@ contains
   public :: do_force_loop
   public :: setRlistDF
 
+#ifdef PROFILE
+  real(kind = dp) :: forceTime
+  real(kind = dp) :: forceTimeInitial, forceTimeFinal
+  real(kind = dp) :: globalForceTime
+  real(kind = dp) :: maxForceTime
+  integer, save :: nloops = 0
+#endif
+
 contains
 
   subroutine setRlistDF( this_rlist )
@@ -146,8 +154,9 @@ contains
 
 
     if (FF_uses_EAM) then
-       call init_EAM_FF(my_status) 
+         call init_EAM_FF(my_status) 
        if (my_status /= 0) then
+          write(*,*) "init_EAM_FF returned a bad status"
           thisStat = -1
           return
        end if
@@ -206,6 +215,7 @@ contains
     real( kind = DP ) :: pot_local
     integer :: nrow
     integer :: ncol
+    integer :: nprocs
 #endif
     integer :: nlocal
     integer :: natoms    
@@ -221,8 +231,7 @@ contains
     integer :: listerror, error
     integer :: localError
 
-    real(kind=dp) :: listSkin = 1.0
-    
+    real(kind=dp) :: listSkin = 1.0   
 
     !! initialize local variables  
 
@@ -264,6 +273,12 @@ contains
     endif
     
 #endif
+
+!! Begin force loop timing:
+#ifdef PROFILE
+    call cpu_time(forceTimeInitial)
+    nloops = nloops + 1
+#endif
   
     if (FF_RequiresPrepairCalc() .and. SimRequiresPrepairCalc()) then
        !! See if we need to update neighbor lists
@@ -563,7 +578,14 @@ contains
 #endif 
     
     ! phew, done with main loop.
-    
+ 
+!! Do timing
+#ifdef PROFILE
+    call cpu_time(forceTimeFinal)
+    forceTime = forceTime + forceTimeFinal - forceTimeInitial
+#endif
+
+
 #ifdef IS_MPI
     !!distribute forces
    
@@ -677,7 +699,37 @@ contains
     endif
 
 #endif
-    
+
+#ifdef PROFILE
+    if (do_pot) then
+
+#ifdef IS_MPI
+
+       
+       call printCommTime() 
+
+       call mpi_allreduce(forceTime,globalForceTime,1,MPI_DOUBLE_PRECISION, &
+            mpi_sum,mpi_comm_world,mpi_err)
+
+       call mpi_allreduce(forceTime,maxForceTime,1,MPI_DOUBLE_PRECISION, &
+            MPI_MAX,mpi_comm_world,mpi_err)
+      
+       call mpi_comm_size( MPI_COMM_WORLD, nprocs,mpi_err)
+       
+       if (getMyNode() == 0) then
+          write(*,*) "Total processor time spent in force calculations is: ", globalForceTime
+          write(*,*) "Total Time spent in force loop per processor is: ", globalforceTime/nprocs
+          write(*,*) "Maximum force time on any processor is: ", maxForceTime
+       end if
+#else
+       write(*,*) "Time spent in force loop is: ", forceTime
+#endif
+
+     
+    endif
+
+#endif
+
   end subroutine do_force_loop
 
   subroutine do_pair(i, j, rijsq, d, do_pot, do_stress, u_l, A, f, t, pot)
@@ -730,7 +782,6 @@ contains
        call getElementProperty(atypes, me_j, "is_DP", is_DP_j)
        
        if ( is_DP_i .and. is_DP_j ) then
-          
           call do_dipole_pair(i, j, d, r, rijsq, pot, u_l, f, t, &
                do_pot, do_stress)
           if (FF_uses_RF .and. SimUsesRF()) then
@@ -755,6 +806,7 @@ contains
 
     if (FF_uses_GB .and. SimUsesGB()) then
 
+
        call getElementProperty(atypes, me_i, "is_GB", is_GB_i)
        call getElementProperty(atypes, me_j, "is_GB", is_GB_j)