ComputePatch Class Reference

#include <ComputePatch.h>

Inheritance diagram for ComputePatch:
Compute ComputeNonbondedSelf

List of all members.

Public Member Functions

 ComputePatch (ComputeID c, PatchID pid)
virtual ~ComputePatch ()
virtual void initialize ()
virtual void atomUpdate ()
virtual void doWork ()

Protected Member Functions

virtual void doForce (CompAtom *p, CompAtomExt *pExt, Results *r)=0

Protected Attributes

int numAtoms
CompAtomExt * pExt
CompAtom * p
Results * r
Patch * patch
PatchID patchID
Box< Patch, CompAtom > * positionBox
Box< Patch, Results > * forceBox

Detailed Description

Definition at line 24 of file ComputePatch.h.

Constructor & Destructor Documentation

ComputePatch::ComputePatch ( ComputeID  c,
PatchID  pid 
)

Definition at line 24 of file ComputePatch.C.

References forceBox, Compute::gbisPhase, patch, patchID, positionBox, and Compute::setNumPatches().

00024                                                  : Compute(c) {
00025     setNumPatches(1);
00026     patchID = p;
00027     patch = NULL;
00028     positionBox = NULL;
00029     forceBox = NULL;
00030     gbisPhase = 3;
00031 }

ComputePatch::~ComputePatch (  )  [virtual]

Definition at line 33 of file ComputePatch.C.

References Compute::cid, DebugM, forceBox, numAtoms, PatchMap::Object(), PatchMap::patch(), patchID, positionBox, Patch::unregisterForceDeposit(), and Patch::unregisterPositionPickup().

00033                             {
00034   DebugM(4, "~ComputePatch("<<cid<<") numAtoms("<<patchID<<") = " 
00035     << numAtoms << "\n");
00036     if (positionBox != NULL) {
00037       PatchMap::Object()->patch(patchID)->unregisterPositionPickup(this,
00038          &positionBox);
00039     }
00040     if (forceBox != NULL) {
00041       PatchMap::Object()->patch(patchID)->unregisterForceDeposit(this,
00042                 &forceBox);
00043     }
00044 }

Member Function Documentation

void ComputePatch::atomUpdate ( void   )  [virtual]

Reimplemented from Compute.

Definition at line 78 of file ComputePatch.C.

References Patch::getNumAtoms(), numAtoms, and patch.

00078                               {
00079     // How can we tell if BoxOwner has packed up and left?  Need a mechanism
00080     // to handle this or do we assume the Boxes have been dumped?
00081     numAtoms = patch->getNumAtoms();
00082 
00083     // DMK - Atom Separation (water vs. non-water)
00084     #if NAMD_SeparateWaters != 0
00085       numWaterAtoms = patch->getNumWaterAtoms();
00086     #endif
00087 }

virtual void ComputePatch::doForce ( CompAtom *  p,
CompAtomExt *  pExt,
Results *  r 
) [protected, pure virtual]

Implemented in ComputeNonbondedSelf.

Referenced by doWork().

void ComputePatch::doWork ( void   )  [virtual]

Reimplemented from Compute.

Definition at line 89 of file ComputePatch.C.

References Box< Owner, Data >::close(), computeNonbondedSelfType, Compute::computeType, DebugM, doForce(), Flags::doGBIS, LdbCoordinator::endWork(), Patch::flags, forceBox, Compute::gbisPhase, Patch::getCompAtomExtInfo(), Compute::ldObjHandle, LdbCoordinator::Object(), Box< Owner, Data >::open(), p, patch, patchID, LdbCoordinator::pauseWork(), pExt, positionBox, r, and LdbCoordinator::startWork().

00089                           {
00090   DebugM(3,patchID << ": doWork() called.\n");
00091 
00092 #if !defined(NAMD_CUDA) && !defined(NAMD_HIP)
00093   // Inform load balancer. 
00094   // I assume no threads will suspend until endWork is called
00095   LdbCoordinator::Object()->startWork(ldObjHandle);
00096 #endif
00097   if ( (computeType != computeNonbondedSelfType ) ||
00098        (!patch->flags.doGBIS || gbisPhase == 1) ) {
00099     // Open up positionBox, forceBox
00100     p = positionBox->open();
00101     r = forceBox->open();
00102     pExt = patch->getCompAtomExtInfo();
00103   }
00104 
00105   // Pass pointers to doForce
00106   doForce(p, pExt, r);
00107 // Inform load balancer
00108 #if !defined(NAMD_CUDA) && !defined(NAMD_HIP)
00109   if (patch->flags.doGBIS && (gbisPhase == 1 || gbisPhase == 2)) {
00110     LdbCoordinator::Object()->pauseWork(ldObjHandle);
00111   } else {
00112     LdbCoordinator::Object()->endWork(ldObjHandle);
00113   }
00114 #endif
00115   // Close up boxes
00116   if ( (computeType != computeNonbondedSelfType   ) ||
00117        (!patch->flags.doGBIS || gbisPhase == 3) ) {
00118     positionBox->close(&p);
00119     forceBox->close(&r);
00120   }
00121   DebugM(2,patchID << ": doWork() completed.\n");
00122 }

void ComputePatch::initialize ( void   )  [virtual]

Reimplemented from Compute.

Reimplemented in ComputeNonbondedSelf.

Definition at line 46 of file ComputePatch.C.

References Compute::basePriority, Compute::cid, COMPUTE_HOME_PRIORITY, COMPUTE_PROXY_PRIORITY, DebugM, forceBox, GB1_COMPUTE_HOME_PRIORITY, GB1_COMPUTE_PROXY_PRIORITY, GB2_COMPUTE_HOME_PRIORITY, GB2_COMPUTE_PROXY_PRIORITY, Compute::gbisPhasePriority, Patch::getNumAtoms(), Patch::getPatchID(), NAMD_bug(), numAtoms, PatchMap::Object(), patch, PATCH_PRIORITY, patchID, positionBox, Patch::registerForceDeposit(), and Patch::registerPositionPickup().

00046                               {
00047     // How can we tell if BoxOwner has packed up and left?  Need a mechanism
00048     // to handle this or do we assume the Boxes have been dumped?
00049 
00050         if (positionBox == NULL) { // We have yet to get boxes
00051             if (!(patch = PatchMap::Object()->patch(patchID))) {
00052               NAMD_bug("ComputePatch used with unknown patch.");
00053             }
00054             DebugM(3, "initialize(" << cid <<")  patchid = "<<patch->getPatchID()<<"\n");
00055             positionBox = patch->registerPositionPickup(this);
00056             forceBox = patch->registerForceDeposit(this);
00057         }
00058         numAtoms = patch->getNumAtoms();
00059 
00060   DebugM(3, "initialize("<<cid<<") numAtoms("<<patchID<<") = " 
00061     << numAtoms  << " patchAddr=" << patch << "\n");
00062     Compute::initialize();
00063 
00064     int myNode = CkMyPe();
00065     if ( PatchMap::Object()->node(patchID) != myNode ) {
00066       basePriority = GB1_COMPUTE_PROXY_PRIORITY + PATCH_PRIORITY(patchID);
00067       gbisPhasePriority[0] = 0;
00068       gbisPhasePriority[1] = GB2_COMPUTE_PROXY_PRIORITY-GB1_COMPUTE_PROXY_PRIORITY;//sub GB1_PRIOR
00069       gbisPhasePriority[2] = COMPUTE_PROXY_PRIORITY-GB1_COMPUTE_PROXY_PRIORITY;
00070     } else {
00071       basePriority = GB1_COMPUTE_HOME_PRIORITY + PATCH_PRIORITY(patchID);
00072       gbisPhasePriority[0] = 0;
00073       gbisPhasePriority[1] = GB2_COMPUTE_HOME_PRIORITY-GB1_COMPUTE_HOME_PRIORITY;
00074       gbisPhasePriority[2] = COMPUTE_HOME_PRIORITY-GB1_COMPUTE_HOME_PRIORITY;
00075     }
00076 }

Member Data Documentation

Box<Patch,Results>* ComputePatch::forceBox [protected]

Definition at line 51 of file ComputePatch.h.

Referenced by ComputePatch(), doWork(), initialize(), ComputeNonbondedSelf::noWork(), and ~ComputePatch().

int ComputePatch::numAtoms [protected]

Definition at line 35 of file ComputePatch.h.

Referenced by atomUpdate(), ComputeNonbondedSelf::doForce(), initialize(), ComputeNonbondedSelf::noWork(), and ~ComputePatch().

CompAtom* ComputePatch::p [protected]

Definition at line 37 of file ComputePatch.h.

Referenced by doWork().

Patch* ComputePatch::patch [protected]

Definition at line 46 of file ComputePatch.h.

Referenced by atomUpdate(), ComputePatch(), ComputeNonbondedSelf::doForce(), doWork(), initialize(), ComputeNonbondedSelf::initialize(), ComputeNonbondedSelf::noWork(), and ComputeNonbondedSelf::~ComputeNonbondedSelf().

PatchID ComputePatch::patchID [protected]

Definition at line 49 of file ComputePatch.h.

Referenced by ComputePatch(), doWork(), initialize(), ComputeNonbondedSelf::initialize(), and ~ComputePatch().

CompAtomExt* ComputePatch::pExt [protected]

Definition at line 36 of file ComputePatch.h.

Referenced by doWork().

Box<Patch,CompAtom>* ComputePatch::positionBox [protected]

Definition at line 50 of file ComputePatch.h.

Referenced by ComputePatch(), doWork(), initialize(), ComputeNonbondedSelf::noWork(), and ~ComputePatch().

Results* ComputePatch::r [protected]

Definition at line 38 of file ComputePatch.h.

Referenced by doWork().

The documentation for this class was generated from the following files:
Generated on 16 Jun 2022 for NAMD by  doxygen 1.6.1