--- trunk/src/restraints/RestraintForceManager.cpp	2014/02/26 14:14:50	1969
+++ trunk/src/restraints/RestraintForceManager.cpp	2014/10/16 19:13:51	2024
@@ -225,12 +225,18 @@ namespace OpenMD {
         evaluator.loadScriptString(objectSelection);
         seleMan.setSelectionSet(evaluator.evaluate());        
         int selectionCount = seleMan.getSelectionCount();
-        
+
+#ifdef IS_MPI    
+        MPI_Allreduce(MPI_IN_PLACE, &selectionCount, 1, MPI_INT, MPI_SUM, 
+                      MPI_COMM_WORLD);
+#endif
+                
         sprintf(painCave.errMsg,
                 "Restraint Info: The specified restraint objectSelection,\n"
                 "\t\t%s\n"
                 "\twill result in %d integrable objects being\n"
                 "\trestrained.\n", objectSelection.c_str(), selectionCount);
+        painCave.severity = OPENMD_INFO;
         painCave.isFatal = 0;
         simError();                     
 
@@ -313,20 +319,16 @@ namespace OpenMD {
   void RestraintForceManager::calcForces(){
 
     ForceManager::calcForces();    
-    RealType restPot_local, restPot;
+    RealType restPot(0.0);
 
-    restPot_local = doRestraints(1.0);
+    restPot = doRestraints(1.0);
 
 #ifdef IS_MPI    
-    MPI_Allreduce(&restPot_local, &restPot, 1, 
-                  MPI_REALTYPE, MPI_SUM, MPI_COMM_WORLD);
-#else
-    restPot = restPot_local;
+    MPI_Allreduce(MPI_IN_PLACE, &restPot, 1, MPI_REALTYPE, MPI_SUM, 
+                  MPI_COMM_WORLD);
 #endif
+
     currSnapshot_ = info_->getSnapshotManager()->getCurrentSnapshot();
-    RealType pot = currSnapshot_->getLongRangePotential();
-    pot += restPot;
-    currSnapshot_->setLongRangePotential(pot);
     currSnapshot_->setRestraintPotential(restPot);
 
     //write out forces and current positions of restrained molecules    
@@ -391,6 +393,7 @@ namespace OpenMD {
 
       std::vector<Vector3d> struc;
       std::vector<Vector3d> forces;
+
       
       for(sd = (*rm)->beginIntegrableObject(ioi); sd != NULL; 
           sd = (*rm)->nextIntegrableObject(ioi)) {
@@ -409,12 +412,11 @@ namespace OpenMD {
         index++;
       }
       
-      unscaledPotential_ += mRest->getUnscaledPotential();
+      unscaledPotential_ += mRest->getUnscaledPotential();      
 
-      restInfo = mRest->getRestraintInfo();
-
       // only collect data on restraints that we're going to print:
       if (mRest->getPrintRestraint()) 
+        restInfo = mRest->getRestraintInfo();
         restInfo_.push_back(restInfo);
     }
 
@@ -451,7 +453,6 @@ namespace OpenMD {
       
       // phew.  At this point, we should have the pointer to the
       // correct Object restraint in the variable oRest.
-
       oRest->setScaleFactor(scalingFactor);
       
       Vector3d pos = (*ro)->getPos();
@@ -475,10 +476,9 @@ namespace OpenMD {
 
       unscaledPotential_ += oRest->getUnscaledPotential();
 
-      restInfo = oRest->getRestraintInfo();
-
       // only collect data on restraints that we're going to print:
       if (oRest->getPrintRestraint()) 
+        restInfo = oRest->getRestraintInfo();      
         restInfo_.push_back(restInfo);
     }