Difference for src/ComputeMgr.C from version 1.1071 to 1.1072

version 1.1071version 1.1072
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   delete computeNonbondedWorkArrays;   delete computeNonbondedWorkArrays;
 } }
  
 void ComputeMgr::updateComputes(int ep, CkGroupID chareID) { void ComputeMgr::updateComputes(int ep, CkGroupID chareID)
  {
   updateComputesReturnEP = ep;   updateComputesReturnEP = ep;
   updateComputesReturnChareID = chareID;   updateComputesReturnChareID = chareID;
   updateComputesCount = CkNumPes();   updateComputesCount = CkNumPes();
  
   if (CkMyPe()) {      if (CkMyPe())
      {
     iout << iPE << iERRORF << "updateComputes signaled on wrong Pe!\n" << endi;     iout << iPE << iERRORF << "updateComputes signaled on wrong Pe!\n" << endi;
     CkExit();     CkExit();
     return;     return;
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 #endif #endif
 } }
  
 void ComputeMgr::updateComputes2(CkQdMsg *msg) { void ComputeMgr::updateComputes2(CkQdMsg *msg)
  {
   delete msg;   delete msg;
  
   CProxy_WorkDistrib wd(CpvAccess(BOCclass_group).workDistrib);   CProxy_WorkDistrib wd(CpvAccess(BOCclass_group).workDistrib);
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 #endif #endif
 } }
  
 void ComputeMgr::updateComputes3() { void ComputeMgr::updateComputes3()
  {
   CProxy_ComputeMgr(thisgroup).updateLocalComputes();   CProxy_ComputeMgr(thisgroup).updateLocalComputes();
 } }
  
 void ComputeMgr::updateLocalComputes() { void ComputeMgr::updateLocalComputes()
  {
   ComputeMap *computeMap = ComputeMap::Object();   ComputeMap *computeMap = ComputeMap::Object();
   CProxy_ProxyMgr pm(CpvAccess(BOCclass_group).proxyMgr);   CProxy_ProxyMgr pm(CpvAccess(BOCclass_group).proxyMgr);
   ProxyMgr *proxyMgr = pm.ckLocalBranch();   ProxyMgr *proxyMgr = pm.ckLocalBranch();
  
   computeFlag = new int[computeMap->numComputes()];   computeFlag = new int[computeMap->numComputes()];
  
   for (int i=0; i<computeMap->numComputes(); i++) {     for (int i=0; i<computeMap->numComputes(); i++)
      {
     DebugM(3, "updateLocalComputes("<<i<<") curnode="<<computeMap->node(i)     DebugM(3, "updateLocalComputes("<<i<<") curnode="<<computeMap->node(i)
       <<" newnode="<<computeMap->newNode(i)<<"\n");       <<" newnode="<<computeMap->newNode(i)<<"\n");
     computeFlag[i] = 0;     computeFlag[i] = 0;
              
     if (computeMap->newNode(i) == CkMyPe() && computeMap->node(i) != CkMyPe()) {         if (computeMap->newNode(i) == CkMyPe() && computeMap->node(i) != CkMyPe())
          {
       DebugM(4, "updateLocal - creating new computeID("<<i<<")\n");       DebugM(4, "updateLocal - creating new computeID("<<i<<")\n");
       computeFlag[i] = 1;       computeFlag[i] = 1;
       computeMap->setNode(i,computeMap->newNode(i));       computeMap->setNode(i,computeMap->newNode(i));
       for (int n=0; n < computeMap->numPids(i); n++) {             for (int n=0; n < computeMap->numPids(i); n++)
              {
  proxyMgr->createProxy(computeMap->pid(i,n));  proxyMgr->createProxy(computeMap->pid(i,n));
       }       }
     }      } 
     else if (computeMap->node(i) == CkMyPe() &&      else if (computeMap->node(i) == CkMyPe() && 
  (computeMap->newNode(i) != -1 && computeMap->newNode(i) != CkMyPe() )) {                  (computeMap->newNode(i) != -1 && computeMap->newNode(i) != CkMyPe() ))
          {
       DebugM(4, "updateLocal - deleting computeID("<<i<<")\n");       DebugM(4, "updateLocal - deleting computeID("<<i<<")\n");
       computeFlag[i] = -1;       computeFlag[i] = -1;
       computeMap->setNode(i,computeMap->newNode(i));       computeMap->setNode(i,computeMap->newNode(i));
     } else if (computeMap->newNode(i) != -1) {         }
          else if (computeMap->newNode(i) != -1)
          {
       computeMap->setNode(i,computeMap->newNode(i));       computeMap->setNode(i,computeMap->newNode(i));
     }     }
     computeMap->setNewNode(i,-1);     computeMap->setNewNode(i,-1);
   }   }
    
   if (!CkMyPe()) {     if (!CkMyPe())
      {
 #if CHARM_VERSION > 050402 #if CHARM_VERSION > 050402
       CkStartQD(CkIndex_ComputeMgr::updateLocalComputes2((CkQdMsg*)0), &thishandle);       CkStartQD(CkIndex_ComputeMgr::updateLocalComputes2((CkQdMsg*)0), &thishandle);
 #else #else
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 } }
  
 void void
 ComputeMgr::updateLocalComputes2(CkQdMsg *msg) { ComputeMgr::updateLocalComputes2(CkQdMsg *msg)
  {
   delete msg;   delete msg;
   CProxy_ComputeMgr(thisgroup).updateLocalComputes3();   CProxy_ComputeMgr(thisgroup).updateLocalComputes3();
 } }
  
 void void
 ComputeMgr::updateLocalComputes3() { ComputeMgr::updateLocalComputes3()
  {
   ComputeMap *computeMap = ComputeMap::Object();   ComputeMap *computeMap = ComputeMap::Object();
   CProxy_ProxyMgr pm(CpvAccess(BOCclass_group).proxyMgr);   CProxy_ProxyMgr pm(CpvAccess(BOCclass_group).proxyMgr);
   ProxyMgr *proxyMgr = pm.ckLocalBranch();   ProxyMgr *proxyMgr = pm.ckLocalBranch();
  
   ProxyMgr::nodecount = 0;   ProxyMgr::nodecount = 0;
  
   for (int i=0; i<computeMap->numComputes(); i++) {     for (int i=0; i<computeMap->numComputes(); i++)
     if (1 == computeFlag[i]) {     {
          if (1 == computeFlag[i])
          {
       DebugM(4, "updateLocalCompute3() - create computeID(" << i << ")\n");       DebugM(4, "updateLocalCompute3() - create computeID(" << i << ")\n");
       createCompute(i, computeMap);       createCompute(i, computeMap);
     }     }
     else if (-1 == computeFlag[i]) {         else if (-1 == computeFlag[i])
          {
       // remove this compute       // remove this compute
       DebugM(4, "updateLocalCompute3() - delete computeID(" << i << ")\n");       DebugM(4, "updateLocalCompute3() - delete computeID(" << i << ")\n");
       delete computeMap->compute(i);       delete computeMap->compute(i);
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   ComputeMap::Object()->checkMap();   ComputeMap::Object()->checkMap();
   PatchMap::Object()->checkMap();   PatchMap::Object()->checkMap();
  
   if (!CkMyPe()) {     if (!CkMyPe())
      {
 #if CHARM_VERSION > 050402 #if CHARM_VERSION > 050402
     CkStartQD(CkIndex_ComputeMgr::updateLocalComputes4((CkQdMsg*)0), &thishandle);     CkStartQD(CkIndex_ComputeMgr::updateLocalComputes4((CkQdMsg*)0), &thishandle);
 #else #else
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 } }
  
 void void
 ComputeMgr::updateLocalComputes4(CkQdMsg *msg) { ComputeMgr::updateLocalComputes4(CkQdMsg *msg)
  {
   delete msg;   delete msg;
   CProxy_ComputeMgr(thisgroup).updateLocalComputes5();   CProxy_ComputeMgr(thisgroup).updateLocalComputes5();
 } }
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 int firstphase = 1; int firstphase = 1;
  
 void void
 ComputeMgr::updateLocalComputes5() { ComputeMgr::updateLocalComputes5()
  {
   // we always use the centralized building of spanning tree   // we always use the centralized building of spanning tree
   // distributed building of ST called in Node.C only   // distributed building of ST called in Node.C only
   if(proxySendSpanning || proxyRecvSpanning)   if(proxySendSpanning || proxyRecvSpanning)
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   // shift the creation of ST to the load balancer   // shift the creation of ST to the load balancer
    
 #if 0 #if 0
   if(proxySendSpanning || proxyRecvSpanning) {     if (proxySendSpanning || proxyRecvSpanning)
      {
   if (firstphase)   if (firstphase)
     ProxyMgr::Object()->buildProxySpanningTree2();     ProxyMgr::Object()->buildProxySpanningTree2();
   else   else
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 #endif #endif
 } }
  
 void ComputeMgr::doneUpdateLocalComputes() { void ComputeMgr::doneUpdateLocalComputes()
  {
  
 //  if (!--updateComputesCount) { //  if (!--updateComputesCount) {
     DebugM(4, "doneUpdateLocalComputes on Pe("<<CkMyPe()<<")\n");     DebugM(4, "doneUpdateLocalComputes on Pe("<<CkMyPe()<<")\n");
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     }     }
 } }
  
  void registerUserEventsForAllComputeObjs()
  {
  #ifdef TRACE_COMPUTE_OBJECTS
      ComputeMap *map = ComputeMap::Object();
      char user_des[50];
      for (int i=0; i<map->numComputes(); i++)
      {
          memset(user_des, 0, 50);
          switch ( map->type(i) )
          {
          case computeNonbondedSelfType:
              sprintf(user_des, "computeNonBondedSelfType_%d", i);
              break;
          case computeNonbondedPairType:
              sprintf(user_des, "computeNonBondedPairType_%d", i);
              break;
          case computeBondsType:
              sprintf(user_des, "computeBondsType_%d", i);
              break;
          case computeAnglesType:
              sprintf(user_des, "computeAnglesType_%d", i);
              break;
          case computeDihedralsType:
              sprintf(user_des, "computeDihedralsType_%d", i);
              break;
          case computeImpropersType:
              sprintf(user_des, "computeImpropersType_%d", i);
              break;
          case computeCrosstermsType:
              sprintf(user_des, "computeCrosstermsType_%d", i);
              break;
          case computeSelfBondsType:
              sprintf(user_des, "computeSelfBondsType_%d", i);
              break;
          case computeSelfAnglesType:
              sprintf(user_des, "computeSelfAnglesType_%d", i);
              break;
          case computeSelfDihedralsType:
              sprintf(user_des, "computeSelfDihedralsType_%d", i);
              break;
          case computeSelfImpropersType:
              sprintf(user_des, "computeSelfImpropersType_%d", i);
              break;
          case computeSelfCrosstermsType:
              sprintf(user_des, "computeSelfCrosstermsType_%d", i);
              break;
  #ifdef DPMTA
          case computeDPMTAType:
              sprintf(user_des, "computeDPMTAType_%d", i);
              break;
  #endif
  #ifdef DPME
          case computeDPMEType:
              sprintf(user_des, "computeDPMEType_%d", i);
              break;
  #endif
          case computePmeType:
              sprintf(user_des, "computePMEType_%d", i);
              break;
          case computeEwaldType:
              sprintf(user_des, "computeEwaldType_%d", i);
              break;
          case computeFullDirectType:
              sprintf(user_des, "computeFullDirectType_%d", i);
              break;
          case computeGlobalType:
              sprintf(user_des, "computeGlobalType_%d", i);
              break;
          case computeStirType:
              sprintf(user_des, "computeStirType_%d", i);
              break;
          case computeExtType:
              sprintf(user_des, "computeExtType_%d", i);
              break;
          case computeEFieldType:
              sprintf(user_des, "computeEFieldType_%d", i);
              break;
              /* BEGIN gf */
          case computeGridForceType:
              sprintf(user_des, "computeGridForceType_%d", i);
              break;
              /* END gf */
          case computeSphericalBCType:
              sprintf(user_des, "computeSphericalBCType_%d", i);
              break;
          case computeCylindricalBCType:
              sprintf(user_des, "computeCylindricalBCType_%d", i);
              break;
          case computeTclBCType:
              sprintf(user_des, "computeTclBCType_%d", i);
              break;
          case computeRestraintsType:
              sprintf(user_des, "computeRestraintsType_%d", i);
              break;
          case computeConsForceType:
              sprintf(user_des, "computeConsForceType_%d", i);
              break;
          case computeConsTorqueType:
              sprintf(user_des, "computeConsTorqueType_%d", i);
              break;
          default:
              NAMD_bug("Unknown compute type in ComputeMgr::registerUserEventForAllComputeObjs().");
              break;
          }
   int user_des_len = strlen(user_des);
   char *user_des_cst = new char[user_des_len+1];
   memcpy(user_des_cst, user_des, user_des_len);
   user_des_cst[user_des_len] = 0;
   //Since the argument in traceRegisterUserEvent is supposed
   //to be a const string which will not be copied inside the
   //function when a new user event is created, user_des_cst 
   //has to be allocated in heap.
          int reEvenId = traceRegisterUserEvent(user_des_cst, TRACE_COMPOBJ_IDOFFSET+i);
   //printf("Register user event (%s) with id (%d)\n", user_des, reEvenId);
      }
  #else
      return;
  #endif
  }
        
 void  void 
 ComputeMgr::createComputes(ComputeMap *map) ComputeMgr::createComputes(ComputeMap *map)
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   numNonbondedPair = 0;   numNonbondedPair = 0;
   ComputeNonbondedUtil::select();   ComputeNonbondedUtil::select();
  
   if ( simParams->globalForcesOn && !myNode ) {     if ( simParams->globalForcesOn && !myNode )
      {
     DebugM(4,"Mgr running on Node "<<CkMyPe()<<"\n");     DebugM(4,"Mgr running on Node "<<CkMyPe()<<"\n");
     /* create a master server to allow multiple masters */     /* create a master server to allow multiple masters */
     masterServerObject = new GlobalMasterServer(this,     masterServerObject = new GlobalMasterServer(this,
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 void ComputeMgr:: recvComputeGlobalConfig(ComputeGlobalConfigMsg *msg) void ComputeMgr:: recvComputeGlobalConfig(ComputeGlobalConfigMsg *msg)
 { {
   if ( computeGlobalObject ) {     if ( computeGlobalObject )
      {
     computeGlobalObject->recvConfig(msg);     computeGlobalObject->recvConfig(msg);
   }   }
   else if ( ! (PatchMap::Object())->numHomePatches() ) delete msg;   else if ( ! (PatchMap::Object())->numHomePatches() ) delete msg;
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 void ComputeMgr:: recvComputeGlobalData(ComputeGlobalDataMsg *msg) void ComputeMgr:: recvComputeGlobalData(ComputeGlobalDataMsg *msg)
 { {
   if(masterServerObject) { // make sure it has been initialized     if (masterServerObject)  // make sure it has been initialized
      {
     masterServerObject->recvData(msg);     masterServerObject->recvData(msg);
   } else NAMD_die("ComputeMgr::masterServerObject is NULL!");     }
      else NAMD_die("ComputeMgr::masterServerObject is NULL!");
 } }
  
 void ComputeMgr:: sendComputeGlobalResults(ComputeGlobalResultsMsg *msg) void ComputeMgr:: sendComputeGlobalResults(ComputeGlobalResultsMsg *msg)
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 void ComputeMgr:: recvComputeGlobalResults(ComputeGlobalResultsMsg *msg) void ComputeMgr:: recvComputeGlobalResults(ComputeGlobalResultsMsg *msg)
 { {
   if ( computeGlobalObject ) {     if ( computeGlobalObject )
      {
     computeGlobalObject->recvResults(msg);     computeGlobalObject->recvResults(msg);
   }   }
   else if ( ! (PatchMap::Object())->numHomePatches() ) delete msg;   else if ( ! (PatchMap::Object())->numHomePatches() ) delete msg;
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  */  */
 void ComputeMgr:: sendComputeEwaldData(ComputeEwaldMsg *msg) void ComputeMgr:: sendComputeEwaldData(ComputeEwaldMsg *msg)
 { {
   if (computeEwaldObject) {     if (computeEwaldObject)
      {
     int node = computeEwaldObject->getMasterNode();     int node = computeEwaldObject->getMasterNode();
     CProxy_ComputeMgr cm(CpvAccess(BOCclass_group).computeMgr);     CProxy_ComputeMgr cm(CpvAccess(BOCclass_group).computeMgr);
 #if CHARM_VERSION > 050402 #if CHARM_VERSION > 050402
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 #else #else
     cm.recvComputeEwaldData(msg, node);     cm.recvComputeEwaldData(msg, node);
 #endif #endif
   } else if (!PatchMap::Object()->numHomePatches()) {     }
      else if (!PatchMap::Object()->numHomePatches())
      {
     CkPrintf("skipping message on Pe(%d)\n", CkMyPe());     CkPrintf("skipping message on Pe(%d)\n", CkMyPe());
     delete msg;     delete msg;
   } else NAMD_die("ComputeMgr::computeEwaldObject is NULL!");     }
      else NAMD_die("ComputeMgr::computeEwaldObject is NULL!");
 } }
  
 void ComputeMgr:: recvComputeEwaldData(ComputeEwaldMsg *msg) void ComputeMgr:: recvComputeEwaldData(ComputeEwaldMsg *msg)
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   else NAMD_die("ComputeMgr::computeEwaldObject in recvData is NULL!");   else NAMD_die("ComputeMgr::computeEwaldObject in recvData is NULL!");
 } }
  
 void ComputeMgr:: sendComputeEwaldResults(ComputeEwaldMsg *msg) { void ComputeMgr:: sendComputeEwaldResults(ComputeEwaldMsg *msg)
  {
   (CProxy_ComputeMgr(CpvAccess(BOCclass_group).computeMgr)).recvComputeEwaldResults(msg);   (CProxy_ComputeMgr(CpvAccess(BOCclass_group).computeMgr)).recvComputeEwaldResults(msg);
 } }
  
 void ComputeMgr::recvComputeEwaldResults(ComputeEwaldMsg *msg) { void ComputeMgr::recvComputeEwaldResults(ComputeEwaldMsg *msg)
  {
   if (computeEwaldObject)   if (computeEwaldObject)
     computeEwaldObject->recvResults(msg);     computeEwaldObject->recvResults(msg);
   else if ( ! (PatchMap::Object())->numHomePatches() ) delete msg;   else if ( ! (PatchMap::Object())->numHomePatches() ) delete msg;
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 void ComputeMgr:: sendComputeDPMEData(ComputeDPMEDataMsg *msg) void ComputeMgr:: sendComputeDPMEData(ComputeDPMEDataMsg *msg)
 { {
   if ( computeDPMEObject ) {     if ( computeDPMEObject )
      {
 #ifdef DPME #ifdef DPME
     int node = computeDPMEObject->getMasterNode();     int node = computeDPMEObject->getMasterNode();
     CProxy_ComputeMgr cm(CpvAccess(BOCclass_group).computeMgr);     CProxy_ComputeMgr cm(CpvAccess(BOCclass_group).computeMgr);
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 void ComputeMgr:: recvComputeDPMEData(ComputeDPMEDataMsg *msg) void ComputeMgr:: recvComputeDPMEData(ComputeDPMEDataMsg *msg)
 { {
   if ( computeDPMEObject ) {     if ( computeDPMEObject )
      {
 #ifdef DPME #ifdef DPME
     computeDPMEObject->recvData(msg);     computeDPMEObject->recvData(msg);
 #endif #endif
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 void ComputeMgr:: recvComputeDPMEResults(ComputeDPMEResultsMsg *msg) void ComputeMgr:: recvComputeDPMEResults(ComputeDPMEResultsMsg *msg)
 { {
   if ( computeDPMEObject ) {     if ( computeDPMEObject )
      {
 #ifdef DPME #ifdef DPME
     computeDPMEObject->recvResults(msg);     computeDPMEObject->recvResults(msg);
 #endif #endif
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   delete [] m->consForceIndexes;   delete [] m->consForceIndexes;
   delete [] m->consForce;   delete [] m->consForce;
   int n = msg->aid.size();   int n = msg->aid.size();
   if (n > 0) {     if (n > 0)
      {
     m->consForceIndexes = new int32[m->numAtoms];     m->consForceIndexes = new int32[m->numAtoms];
     m->consForce = new Vector[n];     m->consForce = new Vector[n];
     int i;     int i;
     for (i=0; i<m->numAtoms; i++) m->consForceIndexes[i] = -1;     for (i=0; i<m->numAtoms; i++) m->consForceIndexes[i] = -1;
     for (i=0; i<msg->aid.size(); i++) {         for (i=0; i<msg->aid.size(); i++)
          {
       m->consForceIndexes[msg->aid[i]] = i;       m->consForceIndexes[msg->aid[i]] = i;
       m->consForce[i] = msg->f[i];       m->consForce[i] = msg->f[i];
     }     }
   } else {     }
      else
      {
     m->consForceIndexes = NULL;     m->consForceIndexes = NULL;
     m->consForce = NULL;     m->consForce = NULL;
   }   }

Legend:
Removed in v.1.1071 
changed lines
 Added in v.1.1072


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