NAMD
|
Public Member Functions | |
PmeXPencil_SDAG_CODE | PmeXPencil () |
PmeXPencil (CkMigrateMessage *) | |
~PmeXPencil () | |
void | fft_init () |
void | recv_trans (const PmeTransMsg *) |
void | forward_fft () |
void | pme_kspace () |
void | backward_fft () |
void | send_untrans () |
void | send_subset_untrans (int fromIdx, int toIdx) |
void | node_process_trans (PmeTransMsg *) |
void | evir_init () |
![]() | |
PmePencil () | |
~PmePencil () | |
void | base_init (PmePencilInitMsg *msg) |
void | order_init (int nBlocks) |
Public Attributes | |
fftw_plan | forward_plan |
fftw_plan | backward_plan |
int | ny |
int | nz |
int | recipEvirPe |
PmeKSpace * | myKSpace |
![]() | |
PmePencilInitMsgData | initdata |
Lattice | lattice |
PmeReduction | evir |
int | sequence |
AtomicInt | imsg |
AtomicInt | imsgb |
int | hasData |
int | offload |
float * | data |
float * | work |
int * | send_order |
int * | needs_reply |
Additional Inherited Members | |
![]() | |
typedef int | AtomicInt |
Definition at line 4705 of file ComputePme.C.
|
inline |
Definition at line 4708 of file ComputePme.C.
References PmePencil< CBase_PmeXPencil >::imsg, PmePencil< CBase_PmeXPencil >::imsgb, myKSpace, and recipEvirPe.
|
inline |
Definition at line 4709 of file ComputePme.C.
|
inline |
Definition at line 4710 of file ComputePme.C.
void PmeXPencil::backward_fft | ( | ) |
Definition at line 5718 of file ComputePme.C.
References backward_plan, CKLOOP_CTRL_PME_BACKWARDFFT, PmePencil< CBase_PmeXPencil >::data, PmePencilInitMsgData::grid, PmePencil< CBase_PmeXPencil >::initdata, PmeGrid::K1, Node::Object(), PmeXZPencilFFT(), Node::simParameters, SimParameters::useCkLoop, PmePencil< CBase_PmeXPencil >::work, PmePencilInitMsgData::yBlocks, and PmePencilInitMsgData::zBlocks.
Referenced by node_process_trans().
void PmeXPencil::evir_init | ( | ) |
Definition at line 4763 of file ComputePme.C.
References findRecipEvirPe(), PmePencil< CBase_PmeXPencil >::initdata, PmePencilInitMsgData::pmeProxy, and recipEvirPe.
void PmeXPencil::fft_init | ( | ) |
Definition at line 5041 of file ComputePme.C.
References backward_plan, PmeGrid::block2, PmeGrid::block3, PmePencil< CBase_PmeXPencil >::data, PmeGrid::dim3, ComputePmeMgr::fftw_plan_lock, SimParameters::FFTWEstimate, fftwf_malloc, SimParameters::FFTWPatient, forward_plan, PmePencilInitMsgData::grid, if(), PmePencil< CBase_PmeXPencil >::initdata, PmeGrid::K1, PmeGrid::K2, myKSpace, NAMD_die(), nz, PmePencil< CBase_PmeXPencil >::order_init(), PmePencilInitMsgData::pmeNodeProxy, Node::simParameters, SimParameters::useCkLoop, PmePencil< CBase_PmeXPencil >::work, and PmePencilInitMsgData::xBlocks.
void PmeXPencil::forward_fft | ( | ) |
Definition at line 5659 of file ComputePme.C.
References CKLOOP_CTRL_PME_FORWARDFFT, PmePencil< CBase_PmeXPencil >::data, forward_plan, PmePencilInitMsgData::grid, PmePencil< CBase_PmeXPencil >::initdata, PmeGrid::K1, Node::Object(), PmeXZPencilFFT(), Node::simParameters, SimParameters::useCkLoop, PmePencil< CBase_PmeXPencil >::work, PmePencilInitMsgData::yBlocks, and PmePencilInitMsgData::zBlocks.
Referenced by node_process_trans().
void PmeXPencil::node_process_trans | ( | PmeTransMsg * | msg | ) |
Definition at line 5602 of file ComputePme.C.
References backward_fft(), forward_fft(), PmeTransMsg::hasData, PmePencil< CBase_PmeXPencil >::hasData, PmePencil< CBase_PmeXPencil >::imsg, PmePencil< CBase_PmeXPencil >::initdata, PmePencil< CBase_PmeXPencil >::needs_reply, pme_kspace(), recv_trans(), send_untrans(), PmeTransMsg::sourceNode, and PmePencilInitMsgData::xBlocks.
Referenced by NodePmeMgr::recvXTrans().
void PmeXPencil::pme_kspace | ( | ) |
Definition at line 5689 of file ComputePme.C.
References CKLOOP_CTRL_PME_KSPACE, PmeKSpace::compute_energy(), PmePencil< CBase_PmeXPencil >::data, PmePencil< CBase_PmeXPencil >::evir, ComputeNonbondedUtil::ewaldcof, PmePencil< CBase_PmeXPencil >::initdata, PmePencil< CBase_PmeXPencil >::lattice, myKSpace, Node::Object(), PmePencilInitMsgData::yBlocks, and PmePencilInitMsgData::zBlocks.
Referenced by node_process_trans().
void PmeXPencil::recv_trans | ( | const PmeTransMsg * | msg | ) |
Definition at line 5622 of file ComputePme.C.
References PmeGrid::block1, PmePencil< CBase_PmeXPencil >::data, PmePencilInitMsgData::grid, PmeTransMsg::hasData, PmePencil< CBase_PmeXPencil >::imsg, PmePencil< CBase_PmeXPencil >::initdata, PmeGrid::K1, PmeTransMsg::lattice, PmePencil< CBase_PmeXPencil >::lattice, PmeTransMsg::nx, ny, nz, PmeTransMsg::qgrid, PmeTransMsg::sequence, PmePencil< CBase_PmeXPencil >::sequence, and PmeTransMsg::sourceNode.
Referenced by node_process_trans().
void PmeXPencil::send_subset_untrans | ( | int | fromIdx, |
int | toIdx | ||
) |
Definition at line 5751 of file ComputePme.C.
References PmeGrid::block1, PmePencil< CBase_PmeXPencil >::data, PmeUntransMsg::destElem, PmePencilInitMsgData::grid, PmePencil< CBase_PmeXPencil >::initdata, PmeGrid::K1, PmePencil< CBase_PmeXPencil >::needs_reply, PmeUntransMsg::ny, ny, nz, PME_UNTRANS_PRIORITY, PmePencilInitMsgData::pmeNodeProxy, PRIORITY_SIZE, PmeUntransMsg::qgrid, PmePencil< CBase_PmeXPencil >::send_order, PmePencil< CBase_PmeXPencil >::sequence, SET_PRIORITY, PmeUntransMsg::sourceNode, PmePencilInitMsgData::xBlocks, PmePencilInitMsgData::ym, and PmePencilInitMsgData::yPencil.
Referenced by PmeXPencilSendUntrans().
void PmeXPencil::send_untrans | ( | ) |
Definition at line 5809 of file ComputePme.C.
References PmeGrid::block1, CKLOOP_CTRL_PME_SENDUNTRANS, PmePencil< CBase_PmeXPencil >::data, PmeUntransMsg::destElem, PmeEvirMsg::evir, PmePencil< CBase_PmeXPencil >::evir, PmePencilInitMsgData::grid, PmePencil< CBase_PmeXPencil >::initdata, PmeGrid::K1, PmePencil< CBase_PmeXPencil >::needs_reply, PmeUntransMsg::ny, ny, nz, Node::Object(), PME_UNGRID_PRIORITY, PME_UNTRANS_PRIORITY, PmePencilInitMsgData::pmeNodeProxy, PmePencilInitMsgData::pmeProxy, PmeXPencilSendUntrans(), PRIORITY_SIZE, PmeUntransMsg::qgrid, recipEvirPe, PmePencil< CBase_PmeXPencil >::send_order, PmePencil< CBase_PmeXPencil >::sequence, SET_PRIORITY, Node::simParameters, PmeUntransMsg::sourceNode, SimParameters::useCkLoop, PmePencilInitMsgData::xBlocks, PmePencilInitMsgData::yBlocks, PmePencilInitMsgData::ym, PmePencilInitMsgData::yPencil, and PmePencilInitMsgData::zBlocks.
Referenced by node_process_trans().
fftw_plan PmeXPencil::backward_plan |
Definition at line 4733 of file ComputePme.C.
Referenced by backward_fft(), and fft_init().
fftw_plan PmeXPencil::forward_plan |
Definition at line 4733 of file ComputePme.C.
Referenced by fft_init(), and forward_fft().
PmeKSpace* PmeXPencil::myKSpace |
Definition at line 4739 of file ComputePme.C.
Referenced by fft_init(), pme_kspace(), and PmeXPencil().
int PmeXPencil::ny |
Definition at line 4736 of file ComputePme.C.
Referenced by recv_trans(), send_subset_untrans(), and send_untrans().
int PmeXPencil::nz |
Definition at line 4736 of file ComputePme.C.
Referenced by fft_init(), recv_trans(), send_subset_untrans(), and send_untrans().
int PmeXPencil::recipEvirPe |
Definition at line 4737 of file ComputePme.C.
Referenced by evir_init(), PmeXPencil(), and send_untrans().