StructureFactor.C

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/** \file StructureFactor.C
 *
 */
///////////////////////////////////////////////////////////////////////////////= 

#include "utility/util.h"
#include "main/AtomsCache.h"
#include "main/energyGroup.h"
#include "fft_slab_ctrl/fftCacheSlab.h"
#include "StructureFactor.h"
#include "StructFactorCache.h"
#include "main/CPcharmParaInfoGrp.h"
#include "src_piny_physics_v1.0/include/class_defs/CP_OPERATIONS/class_cpnonlocal.h"
#include "src_piny_physics_v1.0/include/class_defs/Interface_ctrl.h"
#include "main/PhysScratchCache.h"


///////////////////////////////////////////////////////////////////////////////=

extern CkVec <CProxy_StructureFactor> UsfCompProxy;
extern CkVec <CProxy_StructFactCache> UsfCacheProxy;
extern CkVec <CProxy_AtomsCache> UatomsCacheProxy;
extern CkVec <CProxy_EnergyGroup> UegroupProxy;
extern CProxy_PhysScratchCache  pScratchProxy;
StructureFactor::StructureFactor(CkMigrateMessage *m){ }

//#define _CP_DEBUG_SF_CALC_

///////////////////////////////////////////////////////////////////////////////=


///////////////////////////////////////////////////////////////////////////////=
///////////////////////////////////////////////////////////////////////////////c
///////////////////////////////////////////////////////////////////////////////=
void StructureFactor::computeSF(SFDummyMsg *msg)
{
    int iteration_src = msg->iteration_src;
    delete msg; // prioritized trigger
    CPcharmParaInfo *sim = CPcharmParaInfo::get();
    if(sim->ees_nloc_on==1)
        CkAbort("No structure factors under EES nonlocal\n");
   //    CkPrintf("[%d %d %d] compute %d\n",thisIndex.x,thisIndex.y,thisIndex.z,numdest);
   // The guy who called us is up to date. Are we? The caller is one ahead
   // of the energy dude and the atoms because it flipped its iteration counter
   // at the top of the loop.
   if(numdest){
     if(UatomsCacheProxy[thisInstance.proxyOffset].ckLocalBranch()->iteration != 
        UegroupProxy[thisInstance.proxyOffset].ckLocalBranch()->iteration_gsp || 
        UatomsCacheProxy[thisInstance.proxyOffset].ckLocalBranch()->iteration != (iteration_src-1)){
       CkPrintf("Flow of Control Warning  in computeSF : atoms slow\n");
       SFDummyMsg *newMsg = new(8*sizeof(int)) SFDummyMsg;
       CkSetQueueing(newMsg, CK_QUEUEING_IFIFO);
       *(int*)CkPriorityPtr(newMsg) = config.sfpriority;
       newMsg->iteration_src = iteration_src;
       UsfCompProxy[thisInstance.proxyOffset](thisIndex.x,thisIndex.y,thisIndex.z).computeSF(newMsg);
     }//endif
   }//endif

///////////////////////////////////////////////////////////////////////////////=
  if(numdest){ //we have work to do
  //----------------------------------------------------------------------------
  // Manage memory and compute SF
      CkAssert(gsSize>0);
#ifdef _CP_DEBUG_SF_CALC_
      CkPrintf("[%d %d %d] compute\n",thisIndex.x,thisIndex.y,thisIndex.z);
#endif
      // allow for clean slate 
      if(structFactor==NULL) {
    structFactor    = (complex *)fftw_malloc(natm_nl_grp_max*gsSize*sizeof(complex));
      }//endif
      if(structFactor_fx==NULL) {
    structFactor_fx    = (complex *)fftw_malloc(natm_nl_grp_max*gsSize*sizeof(complex));
    structFactor_fy    = (complex *)fftw_malloc(natm_nl_grp_max*gsSize*sizeof(complex));
    structFactor_fz    = (complex *)fftw_malloc(natm_nl_grp_max*gsSize*sizeof(complex));
      }//endif
      AtomsCache *ag = UatomsCacheProxy[thisInstance.proxyOffset].ckLocalBranch(); // find me the local copy
      FastAtoms *fastAtoms = &(ag->fastAtoms);
      CPNONLOCAL::CP_calc_Struct_Fact(gsSize,k_x, k_y,k_z, 
                      structFactor,structFactor_fx,structFactor_fy,
                      structFactor_fz,fastAtoms, config.doublePack, 
                      numSfGrps,thisIndex.x, pScratchProxy.ckLocalBranch()->psscratch);
  //----------------------------------------------------------------------------
  // Communicate the results
      int totalsize=gsSize*natm_nl_grp_max;
      for(int i=0;i<numdest;i++){
      // create message 
#ifdef _CP_DEBUG_SF_CALC_
      CkPrintf("[%d %d %d] sending %d to %d\n",thisIndex.x,thisIndex.y,thisIndex.z,i,destinations[i]);
#endif
      StructFactorMsg *msg = new (totalsize, totalsize, totalsize, totalsize, 8*sizeof(int)) StructFactorMsg;
      CkSetQueueing(msg, CK_QUEUEING_IFIFO);
      *(int*)CkPriorityPtr(msg) = config.sfpriority+thisIndex.x;
      msg->datalen = totalsize;
      msg->gsSize=gsSize;
      msg->atmGrpIndex = thisIndex.x;
      msg->planeIndex=thisIndex.y;
      CmiMemcpy(msg->structFactor,structFactor,totalsize*sizeof(complex));
      CmiMemcpy(msg->structFactor_fx,structFactor_fx,totalsize*sizeof(complex));
      CmiMemcpy(msg->structFactor_fy,structFactor_fy,totalsize*sizeof(complex));
      CmiMemcpy(msg->structFactor_fz,structFactor_fz,totalsize*sizeof(complex));
      // send message
      UsfCacheProxy[thisInstance.proxyOffset][destinations[i]].acceptStructFact(msg);      
      }//endfor
///////////////////////////////////////////////////////////////////////////////=
/// no work to do
  }else{
#ifdef _CP_DEBUG_SF_CALC_
      CkPrintf("[%d %d %d] redundant\n",thisIndex.x,thisIndex.y,thisIndex.z);
#endif
  }//endif

///////////////////////////////////////////////////////////////////////////////=
   }//end routine
///////////////////////////////////////////////////////////////////////////////=

#include "structureFactor.def.h"