--- trunk/OOPSE/libmdtools/do_Forces.F90	2004/05/27 15:21:20	1199
+++ trunk/OOPSE/libmdtools/do_Forces.F90	2004/06/01 18:42:58	1214
@@ -4,7 +4,7 @@
 
 !! @author Charles F. Vardeman II
 !! @author Matthew Meineke
-!! @version $Id: do_Forces.F90,v 1.64 2004-05-27 15:21:20 gezelter Exp $, $Date: 2004-05-27 15:21:20 $, $Name: not supported by cvs2svn $, $Revision: 1.64 $
+!! @version $Id: do_Forces.F90,v 1.67 2004-06-01 18:42:58 gezelter Exp $, $Date: 2004-06-01 18:42:58 $, $Name: not supported by cvs2svn $, $Revision: 1.67 $
 
 module do_Forces
   use force_globals
@@ -428,6 +428,8 @@ contains
     nAtomsInCol   = getNatomsInCol(plan_atom_col)
     nGroupsInRow  = getNgroupsInRow(plan_group_row)
     nGroupsInCol  = getNgroupsInCol(plan_group_col)
+    write(*,*) nAtomsInRow, nAtomsInCol, nGroupsInRow, nGroupsInCol
+    write(*,*) pot_local
 #else
     natoms = nlocal
 #endif
@@ -481,13 +483,19 @@ contains
        ! See if we need to update neighbor lists
        ! (but only on the first time through):
        if (loop .eq. loopStart) then
-          call checkNeighborList(nGroups, q_group, listSkin, update_nlist)
+#ifdef IS_MPI
+          call checkNeighborList(nGroupsInRow, q_group_row, listSkin, &
+             update_nlist)
+#else
+          call checkNeighborList(nGroups, q_group, listSkin, &
+             update_nlist)
+#endif
        endif
        
        if (update_nlist) then
           !! save current configuration and construct neighbor list
 #ifdef IS_MPI
-          call saveNeighborList(nGroupsInRow, q_group)
+          call saveNeighborList(nGroupsInRow, q_group_row)
 #else
           call saveNeighborList(nGroups, q_group)
 #endif         
@@ -502,7 +510,7 @@ contains
        iend = nGroups - 1
 #endif
        outer: do i = istart, iend
-          
+
           if (update_nlist) point(i) = nlist + 1
           
           n_in_i = groupStartRow(i+1) - groupStartRow(i)
@@ -577,7 +585,7 @@ contains
                       atom2 = groupListCol(jb)
                       
                       if (skipThisPair(atom1, atom2)) cycle inner
-                      
+
                       if ((n_in_i .eq. 1).and.(n_in_j .eq. 1)) then
                          d_atm(1:3) = d_grp(1:3)
                          ratmsq = rgrpsq
@@ -590,6 +598,10 @@ contains
                               q(:,atom2), d_atm, ratmsq)
 #endif
                       endif
+#ifdef IS_MPI
+                      write(*,'(a20,2i8,es12.3,2i8)') 'atom1, atom2, pot = ', atom1, atom2, ratmsq, AtomRowToGlobal(atom1), AtomColToGlobal(atom2)
+#endif
+
                       if (loop .eq. PREPAIR_LOOP) then
 #ifdef IS_MPI                      
                          call do_prepair(atom1, atom2, ratmsq, d_atm, sw, &
@@ -605,11 +617,13 @@ contains
                          call do_pair(atom1, atom2, ratmsq, d_atm, sw, &
                               do_pot, &
                               u_l, A, f, t, pot_local, vpair, fpair)
+                         write(*,'(a20,2i11,2es12.3)') 'atom1, atom2, pot = ', atom1, atom2, pot_local, vpair
 #else
                          call do_pair(atom1, atom2, ratmsq, d_atm, sw, &
                               do_pot,  &
                               u_l, A, f, t, pot, vpair, fpair)
 #endif
+
                          vij = vij + vpair
                          fij(1:3) = fij(1:3) + fpair(1:3)
                       endif
@@ -1131,8 +1145,8 @@ contains
       endif
    enddo
    
-   do i = 1, nSkipsForAtom(unique_id_1)
-      if (skipsForAtom(unique_id_1, i) .eq. unique_id_2) then
+   do i = 1, nSkipsForAtom(atom1)
+      if (skipsForAtom(atom1, i) .eq. unique_id_2) then
          skip_it = .true.
          return
       endif