--- trunk/src/brains/ForceManager.cpp	2013/08/05 16:13:46	1923
+++ trunk/src/brains/ForceManager.cpp	2014/02/26 14:14:50	1969
@@ -637,14 +637,23 @@ namespace OpenMD {
     // Collect from all nodes.  This should eventually be moved into a
     // SystemDecomposition, but this is a better place than in
     // Thermo to do the collection.
-    MPI::COMM_WORLD.Allreduce(MPI::IN_PLACE, &bondPotential, 1, MPI::REALTYPE, 
-                              MPI::SUM);
-    MPI::COMM_WORLD.Allreduce(MPI::IN_PLACE, &bendPotential, 1, MPI::REALTYPE, 
-                              MPI::SUM);
-    MPI::COMM_WORLD.Allreduce(MPI::IN_PLACE, &torsionPotential, 1, 
-                              MPI::REALTYPE, MPI::SUM);
-    MPI::COMM_WORLD.Allreduce(MPI::IN_PLACE, &inversionPotential, 1, 
-                              MPI::REALTYPE, MPI::SUM);
+
+    MPI_Allreduce(MPI_IN_PLACE, &bondPotential, 1, MPI_REALTYPE, 
+                  MPI_SUM, MPI_COMM_WORLD);
+    MPI_Allreduce(MPI_IN_PLACE, &bendPotential, 1, MPI_REALTYPE, 
+                  MPI_SUM, MPI_COMM_WORLD);
+    MPI_Allreduce(MPI_IN_PLACE, &torsionPotential, 1, 
+                  MPI_REALTYPE, MPI_SUM, MPI_COMM_WORLD);
+    MPI_Allreduce(MPI_IN_PLACE, &inversionPotential, 1, 
+                  MPI_REALTYPE, MPI_SUM, MPI_COMM_WORLD);
+    // MPI::COMM_WORLD.Allreduce(MPI::IN_PLACE, &bondPotential, 1, MPI::REALTYPE, 
+    //                           MPI::SUM);
+    // MPI::COMM_WORLD.Allreduce(MPI::IN_PLACE, &bendPotential, 1, MPI::REALTYPE, 
+    //                           MPI::SUM);
+    // MPI::COMM_WORLD.Allreduce(MPI::IN_PLACE, &torsionPotential, 1, 
+    //                           MPI::REALTYPE, MPI::SUM);
+    // MPI::COMM_WORLD.Allreduce(MPI::IN_PLACE, &inversionPotential, 1, 
+    //                           MPI::REALTYPE, MPI::SUM);
 #endif
 
     Snapshot* curSnapshot = info_->getSnapshotManager()->getCurrentSnapshot();
@@ -666,6 +675,7 @@ namespace OpenMD {
     DataStorage* config = &(curSnapshot->atomData);
     DataStorage* cgConfig = &(curSnapshot->cgData);
 
+
     //calculate the center of mass of cutoff group
 
     SimInfo::MoleculeIterator mi;
@@ -709,7 +719,7 @@ namespace OpenMD {
     RealType dVdFQ1(0.0);
     RealType dVdFQ2(0.0);
     potVec longRangePotential(0.0);
-    potVec reciprocalPotential(0.0);
+    RealType reciprocalPotential(0.0);
     potVec workPot(0.0);
     potVec exPot(0.0);
     Vector3d eField1(0.0);
@@ -770,7 +780,6 @@ namespace OpenMD {
         rgrpsq = d_grp.lengthSquare();
 
         if (rgrpsq < rCutSq) {
-
           if (iLoop == PAIR_LOOP) {
             vij = 0.0;
             fij.zero();
@@ -827,7 +836,7 @@ namespace OpenMD {
                
                 r = sqrt( *(idat.r2) );
                 idat.rij = &r;
-               
+
                 if (iLoop == PREPAIR_LOOP) {
                   interactionMan_->doPrePair(idat);
                 } else {
@@ -928,6 +937,8 @@ namespace OpenMD {
     fDecomp_->collectData();
     if (cutoffMethod_ == EWALD_FULL) {
       interactionMan_->doReciprocalSpaceSum(reciprocalPotential);
+
+      curSnapshot->setReciprocalPotential(reciprocalPotential);
     }
         
     if (info_->requiresSelfCorrection()) {
@@ -941,7 +952,7 @@ namespace OpenMD {
     fDecomp_->collectSelfData();
 
     longRangePotential = *(fDecomp_->getEmbeddingPotential()) + 
-      *(fDecomp_->getPairwisePotential()) + reciprocalPotential;
+      *(fDecomp_->getPairwisePotential());
 
     curSnapshot->setLongRangePotential(longRangePotential);
     
@@ -975,8 +986,10 @@ namespace OpenMD {
     }
     
 #ifdef IS_MPI
-    MPI::COMM_WORLD.Allreduce(MPI::IN_PLACE, stressTensor.getArrayPointer(), 9, 
-                              MPI::REALTYPE, MPI::SUM);
+    MPI_Allreduce(MPI_IN_PLACE, stressTensor.getArrayPointer(), 9, 
+      MPI_REALTYPE, MPI_SUM, MPI_COMM_WORLD);
+    // MPI::COMM_WORLD.Allreduce(MPI::IN_PLACE, stressTensor.getArrayPointer(), 9, 
+    //                           MPI::REALTYPE, MPI::SUM);
 #endif
     curSnapshot->setStressTensor(stressTensor);