NAMD
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#include <CudaComputeNonbonded.h>
Classes | |
struct | ComputeRecord |
struct | PatchRecord |
Definition at line 21 of file CudaComputeNonbonded.h.
CudaComputeNonbonded::CudaComputeNonbonded | ( | ComputeID | c, |
int | deviceID, | ||
CudaNonbondedTables & | cudaNonbondedTables, | ||
bool | doStreaming | ||
) |
Definition at line 36 of file CudaComputeNonbonded.C.
References cudaCheck, SimParameters::GBISOn, Compute::gbisPhase, NAMD_die(), Node::Object(), SimParameters::pressureProfileOn, Node::simParameters, and simParams.
CudaComputeNonbonded::~CudaComputeNonbonded | ( | ) |
Definition at line 106 of file CudaComputeNonbonded.C.
References cudaCheck, and ComputeMgr::sendUnregisterBoxesOnPe().
void CudaComputeNonbonded::assignPatches | ( | ComputeMgr * | computeMgrIn | ) |
Definition at line 363 of file CudaComputeNonbonded.C.
References PatchMap::basePatchIDList(), deviceCUDA, findHomePatchPe(), findProxyPatchPes(), DeviceCUDA::getDeviceCount(), DeviceCUDA::getMasterPeForDeviceID(), Compute::getNumPatches(), DeviceCUDA::getNumPesSharingDevice(), DeviceCUDA::getPesSharingDevice(), ComputePmeCUDAMgr::isPmePe(), NAMD_bug(), PatchMap::Object(), ComputePmeCUDAMgr::Object(), PatchMap::ObjectOnPe(), ComputeMgr::sendAssignPatchesOnPe(), Compute::setNumPatches(), and sort.
Referenced by ComputeMgr::createComputes().
void CudaComputeNonbonded::assignPatchesOnPe | ( | ) |
Definition at line 301 of file CudaComputeNonbonded.C.
References ResizeArray< T >::add(), NAMD_bug(), PatchMap::node(), PatchMap::Object(), ResizeArray< T >::size(), and sort.
Referenced by ComputeMgr::recvAssignPatchesOnPe().
Reimplemented from Compute.
Definition at line 644 of file CudaComputeNonbonded.C.
Reimplemented from Compute.
Definition at line 921 of file CudaComputeNonbonded.C.
References Flags::doEnergy, Flags::doFullElectrostatics, Flags::doNonbonded, Flags::doVirial, SimParameters::GBISOn, Compute::gbisPhase, NAMD_bug(), Node::Object(), ComputeMgr::sendOpenBoxesOnPe(), and Node::simParameters.
void CudaComputeNonbonded::finishPatchesOnPe | ( | ) |
Definition at line 1371 of file CudaComputeNonbonded.C.
Referenced by ComputeMgr::recvFinishPatchesOnPe().
void CudaComputeNonbonded::finishPatchOnPe | ( | int | i | ) |
Definition at line 1378 of file CudaComputeNonbonded.C.
Referenced by ComputeMgr::recvFinishPatchOnPe().
void CudaComputeNonbonded::finishReductions | ( | ) |
Definition at line 1212 of file CudaComputeNonbonded.C.
References ADD_TENSOR_OBJECT, cudaCheck, VirialEnergy::energyElec, VirialEnergy::energyGBIS, VirialEnergy::energySlow, VirialEnergy::energyVdw, SimParameters::GBISOn, CudaTileListKernel::getNumExcluded(), SubmitReduction::item(), NAMD_bug(), Node::Object(), REDUCTION_COMPUTE_CHECKSUM, REDUCTION_ELECT_ENERGY, REDUCTION_ELECT_ENERGY_SLOW, REDUCTION_EXCLUSION_CHECKSUM_CUDA, REDUCTION_LJ_ENERGY, Node::simParameters, SubmitReduction::submit(), VirialEnergy::virial, VirialEnergy::virialSlow, Tensor::xx, Tensor::xy, Tensor::xz, Tensor::yx, Tensor::yy, Tensor::yz, Tensor::zx, Tensor::zy, and Tensor::zz.
Referenced by ComputeMgr::recvFinishReductions().
Reimplemented from Compute.
Definition at line 244 of file CudaComputeNonbonded.C.
References Compute::gbisP2PatchReady().
Reimplemented from Compute.
Definition at line 250 of file CudaComputeNonbonded.C.
References Compute::gbisP3PatchReady().
Reimplemented from Compute.
Definition at line 607 of file CudaComputeNonbonded.C.
References cudaCheck, ReductionMgr::Object(), Compute::priority(), REDUCTIONS_BASIC, and ReductionMgr::willSubmit().
Referenced by ComputeMgr::createComputes().
void CudaComputeNonbonded::launchWork | ( | ) |
Definition at line 972 of file CudaComputeNonbonded.C.
References CudaComputeNonbonded::PatchRecord::atomStart, cudaCheck, ComputeNonbondedUtil::cutoff, SimParameters::GBISOn, Compute::gbisPhase, CudaTileListKernel::getEmptyPatches(), CudaTileListKernel::getNumEmptyPatches(), CudaTileListKernel::getNumPatches(), CudaComputeNonbondedKernel::getPatchReadyQueue(), SubmitReduction::item(), NAMD_bug(), CudaComputeNonbonded::PatchRecord::numAtoms, Node::Object(), CudaComputeNonbondedKernel::reduceVirialEnergy(), REDUCTION_PAIRLIST_WARNINGS, Flags::savePairlists, Node::simParameters, and Flags::usePairlists.
Referenced by ComputeMgr::recvLaunchWork().
void CudaComputeNonbonded::messageEnqueueWork | ( | ) |
Definition at line 861 of file CudaComputeNonbonded.C.
References WorkDistrib::messageEnqueueWork(), and NAMD_bug().
Referenced by ComputeMgr::recvMessageEnqueueWork().
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virtual |
Reimplemented from Compute.
Definition at line 886 of file CudaComputeNonbonded.C.
References ComputeMgr::sendMessageEnqueueWork().
void CudaComputeNonbonded::openBoxesOnPe | ( | ) |
Definition at line 867 of file CudaComputeNonbonded.C.
References Compute::getNumPatches(), NAMD_bug(), and ComputeMgr::sendLaunchWork().
Referenced by ComputeMgr::recvOpenBoxesOnPe().
Reimplemented from Compute.
Definition at line 232 of file CudaComputeNonbonded.C.
References NAMD_bug(), and Compute::patchReady().
Definition at line 173 of file CudaComputeNonbonded.C.
References PatchMap::center(), PatchMap::Object(), Vector::x, Vector::y, and Vector::z.
Definition at line 163 of file CudaComputeNonbonded.C.
void CudaComputeNonbonded::skipPatchesOnPe | ( | ) |
Definition at line 686 of file CudaComputeNonbonded.C.
References Compute::getNumPatches(), NAMD_bug(), and ComputeMgr::sendFinishReductions().
Referenced by ComputeMgr::recvSkipPatchesOnPe().
void CudaComputeNonbonded::unregisterBoxesOnPe | ( | ) |
Definition at line 151 of file CudaComputeNonbonded.C.
References NAMD_bug().
Referenced by ComputeMgr::recvUnregisterBoxesOnPe().