ComputePatch.C

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/*
   Compute object which deals with a single patch.
*/

#include "WorkDistrib.decl.h"
#include "Node.h"
#include "ComputePatch.h"
#include "Priorities.h"
#include "PatchMap.inl"
#include "Patch.h"

#define MIN_DEBUG_LEVEL 4
//#define DEBUGM
#include "Debug.h"

ComputePatch::ComputePatch(ComputeID c, PatchID p) : Compute(c) {
    setNumPatches(1);
    patchID = p;
    patch = NULL;
    positionBox = NULL;
    forceBox = NULL;
}

ComputePatch::~ComputePatch() {
  DebugM(4, "~ComputePatch("<<cid<<") numAtoms("<<patchID<<") = " 
    << numAtoms << "\n");
    if (positionBox != NULL) {
      PatchMap::Object()->patch(patchID)->unregisterPositionPickup(cid,
         &positionBox);
    }
    if (forceBox != NULL) {
      PatchMap::Object()->patch(patchID)->unregisterForceDeposit(cid,
                &forceBox);
    }
}

void ComputePatch::initialize() {
    // How can we tell if BoxOwner has packed up and left?  Need a mechanism
    // to handle this or do we assume the Boxes have been dumped?

        if (positionBox == NULL) { // We have yet to get boxes
            if (!(patch = PatchMap::Object()->patch(patchID))) {
              NAMD_bug("ComputePatch used with unknown patch.");
            }
            DebugM(3, "initialize(" << cid <<")  patchid = "<<patch->getPatchID()<<"\n");
            positionBox = patch->registerPositionPickup(cid);
            forceBox = patch->registerForceDeposit(cid);
        }
        numAtoms = patch->getNumAtoms();

  DebugM(3, "initialize("<<cid<<") numAtoms("<<patchID<<") = " 
    << numAtoms  << " patchAddr=" << patch << "\n");
    Compute::initialize();

    int myNode = CkMyPe();
    if ( PatchMap::Object()->node(patchID) != myNode )
    {
      basePriority = COMPUTE_PROXY_PRIORITY + PATCH_PRIORITY(patchID);
    }
    else
    {
      basePriority = COMPUTE_HOME_PRIORITY + PATCH_PRIORITY(patchID);
    }
}

void ComputePatch::atomUpdate() {
    // How can we tell if BoxOwner has packed up and left?  Need a mechanism
    // to handle this or do we assume the Boxes have been dumped?
    numAtoms = patch->getNumAtoms();

    // DMK - Atom Separation (water vs. non-water)
    #if NAMD_SeparateWaters != 0
      numWaterAtoms = patch->getNumWaterAtoms();
    #endif
}

void ComputePatch::doWork() {
  CompAtom* p;
  Results* r;

  DebugM(3,patchID << ": doWork() called.\n");

  // Open up positionBox, forceBox
  p = positionBox->open();
  r = forceBox->open();

  // Pass pointers to doForce
#ifdef MEM_OPT_VERSION
  doForce(p, patch->getCompAtomExtInfo(), r);
#else
  doForce(p,r);
#endif

  // Close up boxes
  positionBox->close(&p);
  forceBox->close(&r);

  DebugM(2,patchID << ": doWork() completed.\n");
}

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