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root/group/trunk/OOPSE/libmdtools/simulation_module.F90
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Comparing trunk/OOPSE/libmdtools/simulation_module.F90 (file contents):
Revision 1199 by gezelter, Thu May 27 15:21:20 2004 UTC vs.
Revision 1203 by gezelter, Thu May 27 18:59:17 2004 UTC

# Line 223 | Line 223 | contains
223      mfactLocal = Cmfact        
224              
225      call gather(groupStartLocal, groupStartRow, plan_group_row)
226 <    call gather(groupStartLocal, groupStartCol, plan_group_col)
226 >    call gather(groupStartLocal, groupStartCol, plan_group_col)  
227      groupStartRow(nGroupsInRow+1) = nAtomsInRow + 1
228      groupStartCol(nGroupsInCol+1) = nAtomsInCol + 1
229      call gather(groupListLocal,  groupListRow,  plan_atom_row)
230      call gather(groupListLocal,  groupListCol,  plan_atom_col)
231 +
232 +    ! C passes us groupList as globalID numbers for the atoms
233 +    ! we need to remap these onto the row and column ids on this
234 +    ! processor.  This is a linear search, but is only done once
235 +    ! (we hope)
236 +
237 +    do i = 1, nAtomsInRow
238 +       do j = 1, nAtomsInRow
239 +          if (AtomRowToGlobal(j) .eq. groupListRow(i)) then
240 +             groupListRow(i) = j
241 +          endif
242 +       enddo
243 +    enddo
244 +    do i = 1, nAtomsInCol
245 +       do j = 1, nAtomsInCol
246 +          if (AtomColToGlobal(j) .eq. groupListCol(i)) then
247 +             groupListCol(i) = j
248 +          endif
249 +       enddo
250 +    enddo
251      call gather(mfactLocal,      mfactRow,      plan_atom_row)
252      call gather(mfactLocal,      mfactCol,      plan_atom_col)
253      

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