NAMD
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ComputeMgr.C File Reference
#include "dlloader.h"
#include "CudaGlobalMasterClient.h"
#include "InfoStream.h"
#include "ProcessorPrivate.h"
#include "middle-conv.h"
#include "Debug.h"
#include "BOCgroup.h"
#include "ComputeMgr.decl.h"
#include "ComputeMgr.h"
#include "ProxyMgr.decl.h"
#include "ProxyMgr.h"
#include "Node.h"
#include "ComputeMap.h"
#include "PatchMap.h"
#include "PatchMap.inl"
#include "Compute.h"
#include "ComputeNonbondedUtil.h"
#include "ComputeNonbondedSelf.h"
#include "ComputeNonbondedPair.h"
#include "ComputeAngles.h"
#include "ComputeDihedrals.h"
#include "ComputeImpropers.h"
#include "ComputeThole.h"
#include "ComputeAniso.h"
#include "ComputeCrossterms.h"
#include "ComputeGromacsPair.h"
#include "ComputeBonds.h"
#include "ComputeNonbondedCUDAExcl.h"
#include "ComputeFullDirect.h"
#include "ComputeGlobal.h"
#include "ComputeGlobalMsgs.h"
#include "ComputeExt.h"
#include "ComputeQM.h"
#include "ComputeGBISser.h"
#include "ComputeLCPO.h"
#include "ComputeFmmSerial.h"
#include "ComputeMsmSerial.h"
#include "ComputeLjPmeSerial.h"
#include "ComputeMsmMsa.h"
#include "ComputeMsm.h"
#include "ComputeDPMTA.h"
#include "ComputeDPME.h"
#include "ComputeDPMEMsgs.h"
#include "ComputePme.h"
#include "ComputePmeCUDA.h"
#include "ComputeCUDAMgr.h"
#include "CudaComputeNonbonded.h"
#include "ComputePmeCUDAMgr.h"
#include "ComputeEwald.h"
#include "ComputeEField.h"
#include "ComputeGridForce.h"
#include "ComputeStir.h"
#include "ComputeSphericalBC.h"
#include "ComputeCylindricalBC.h"
#include "ComputeTclBC.h"
#include "ComputeRestraints.h"
#include "ComputeConsForce.h"
#include "ComputeConsForceMsgs.h"
#include "WorkDistrib.h"
#include "LdbCoordinator.h"
#include "FreeEnergyEnums.h"
#include "FreeEnergyAssert.h"
#include "FreeEnergyGroup.h"
#include "FreeEnergyVector.h"
#include "FreeEnergyRestrain.h"
#include "FreeEnergyRMgr.h"
#include "FreeEnergyLambda.h"
#include "FreeEnergyLambdMgr.h"
#include "GlobalMasterTest.h"
#include "GlobalMasterIMD.h"
#include "GlobalMasterTcl.h"
#include "GlobalMasterSMD.h"
#include "GlobalMasterTMD.h"
#include "GlobalMasterSymmetry.h"
#include "GlobalMasterEasy.h"
#include "GlobalMasterMisc.h"
#include "GlobalMasterFreeEnergy.h"
#include "GlobalMasterColvars.h"
#include "PatchData.h"
#include "NamdEventsProfiling.h"
#include "DeviceCUDA.h"
#include "CudaGlobalMasterServer.h"
#include "strlib.h"
#include "ComputeMgr.def.h"

Go to the source code of this file.

Classes

class  CudaComputeNonbondedMsg
 

Macros

#define MIN_DEBUG_LEVEL   3
 

Functions

CudaComputeNonbonded * getCudaComputeNonbonded ()
 
CudaComputeNonbonded * createCudaComputeNonbonded (ComputeID c)
 
void registerUserEventsForAllComputeObjs ()
 

Variables

__thread DeviceCUDA * deviceCUDA
 

Macro Definition Documentation

◆ MIN_DEBUG_LEVEL

#define MIN_DEBUG_LEVEL   3

Copyright (c) 1995, 1996, 1997, 1998, 1999, 2000 by The Board of Trustees of the University of Illinois. All rights reserved.

Definition at line 14 of file ComputeMgr.C.

Function Documentation

◆ createCudaComputeNonbonded()

CudaComputeNonbonded* createCudaComputeNonbonded ( ComputeID  c)

Definition at line 362 of file ComputeMgr.C.

References ComputeCUDAMgr::createCudaComputeNonbonded(), and ComputeCUDAMgr::getComputeCUDAMgr().

362  {
363  return ComputeCUDAMgr::getComputeCUDAMgr()->createCudaComputeNonbonded(c);
364 }
ComputeCUDAMgr::getComputeCUDAMgr
static ComputeCUDAMgr * getComputeCUDAMgr()
Definition: ComputeCUDAMgr.C:193
ComputeCUDAMgr::createCudaComputeNonbonded
CudaComputeNonbonded * createCudaComputeNonbonded(ComputeID c)
Definition: ComputeCUDAMgr.C:238

◆ getCudaComputeNonbonded()

CudaComputeNonbonded* getCudaComputeNonbonded ( )

Definition at line 358 of file ComputeMgr.C.

References ComputeCUDAMgr::getComputeCUDAMgr(), and ComputeCUDAMgr::getCudaComputeNonbonded().

Referenced by ComputeMgr::createComputes().

358  {
359  return ComputeCUDAMgr::getComputeCUDAMgr()->getCudaComputeNonbonded();
360 }
ComputeCUDAMgr::getComputeCUDAMgr
static ComputeCUDAMgr * getComputeCUDAMgr()
Definition: ComputeCUDAMgr.C:193
ComputeCUDAMgr::getCudaComputeNonbonded
CudaComputeNonbonded * getCudaComputeNonbonded()
Definition: ComputeCUDAMgr.C:253

◆ registerUserEventsForAllComputeObjs()

void registerUserEventsForAllComputeObjs ( void  )

Definition at line 794 of file ComputeMgr.C.

References computeAnglesType, computeAnisoType, computeBondsType, computeConsForceType, computeConsTorqueType, computeCrosstermsType, computeCylindricalBCType, computeDihedralsType, computeEFieldType, computeEwaldType, computeExclsType, computeExtType, computeFullDirectType, computeGlobalType, computeGridForceType, computeImpropersType, computeLCPOType, computeNonbondedPairType, computeNonbondedSelfType, computePmeCUDAType, computePmeType, computeQMType, computeRestraintsType, computeSelfAnglesType, computeSelfAnisoType, computeSelfBondsType, computeSelfCrosstermsType, computeSelfDihedralsType, computeSelfExclsType, computeSelfImpropersType, computeSelfTholeType, computeSphericalBCType, computeStirType, computeTclBCType, computeTholeType, PatchMap::gridsize_a(), PatchMap::gridsize_b(), PatchMap::gridsize_c(), PatchMap::index_a(), PatchMap::index_b(), PatchMap::index_c(), NAMD_bug(), ComputeMap::numComputes(), PatchMap::Object(), ComputeMap::Object(), Lattice::offset_a(), Lattice::offset_b(), Lattice::offset_c(), ComputeMap::pid(), TRACE_COMPOBJ_IDOFFSET, ComputeMap::trans(), and ComputeMap::type().

Referenced by Node::startup().

795 {
796 #ifdef TRACE_COMPUTE_OBJECTS
797  ComputeMap *map = ComputeMap::Object();
798  PatchMap *pmap = PatchMap::Object();
799  char user_des[50];
800  int p1, p2;
801  int adim, bdim, cdim;
802  int t1, t2;
803  int x1, y1, z1, x2, y2, z2;
804  int dx, dy, dz;
805  for (int i=0; i<map->numComputes(); i++)
806  {
807  memset(user_des, 0, 50);
808  switch ( map->type(i) )
809  {
810  case computeNonbondedSelfType:
811  sprintf(user_des, "computeNonBondedSelfType_%d_pid_%d", i, map->pid(i,0));
812  break;
813  case computeLCPOType:
814  sprintf(user_des, "computeLCPOType_%d_pid_%d", i, map->pid(i,0));
815  break;
816  case computeNonbondedPairType:
817  adim = pmap->gridsize_a();
818  bdim = pmap->gridsize_b();
819  cdim = pmap->gridsize_c();
820  p1 = map->pid(i, 0);
821  t1 = map->trans(i, 0);
822  x1 = pmap->index_a(p1) + adim * Lattice::offset_a(t1);
823  y1 = pmap->index_b(p1) + bdim * Lattice::offset_b(t1);
824  z1 = pmap->index_c(p1) + cdim * Lattice::offset_c(t1);
825  p2 = map->pid(i, 1);
826  t2 = map->trans(i, 1);
827  x2 = pmap->index_a(p2) + adim * Lattice::offset_a(t2);
828  y2 = pmap->index_b(p2) + bdim * Lattice::offset_b(t2);
829  z2 = pmap->index_c(p2) + cdim * Lattice::offset_c(t2);
830  dx = abs(x1-x2);
831  dy = abs(y1-y2);
832  dz = abs(z1-z2);
833  sprintf(user_des, "computeNonBondedPairType_%d(%d,%d,%d)", i, dx,dy,dz);
834  break;
835 #if defined(NAMD_CUDA) || defined(NAMD_HIP)
836 #ifdef BONDED_CUDA
837  case computeBondedCUDAType:
838  sprintf(user_des, "computeBondedCUDAType_%d", i);
839  break;
840 #endif
841 #endif
842  case computeExclsType:
843  sprintf(user_des, "computeExclsType_%d", i);
844  break;
845  case computeBondsType:
846  sprintf(user_des, "computeBondsType_%d", i);
847  break;
848  case computeAnglesType:
849  sprintf(user_des, "computeAnglesType_%d", i);
850  break;
851  case computeDihedralsType:
852  sprintf(user_des, "computeDihedralsType_%d", i);
853  break;
854  case computeImpropersType:
855  sprintf(user_des, "computeImpropersType_%d", i);
856  break;
857  case computeTholeType:
858  sprintf(user_des, "computeTholeType_%d", i);
859  break;
860  case computeAnisoType:
861  sprintf(user_des, "computeAnisoType_%d", i);
862  break;
863  case computeCrosstermsType:
864  sprintf(user_des, "computeCrosstermsType_%d", i);
865  break;
866  case computeSelfExclsType:
867  sprintf(user_des, "computeSelfExclsType_%d", i);
868  break;
869  case computeSelfBondsType:
870  sprintf(user_des, "computeSelfBondsType_%d", i);
871  break;
872  case computeSelfAnglesType:
873  sprintf(user_des, "computeSelfAnglesType_%d", i);
874  break;
875  case computeSelfDihedralsType:
876  sprintf(user_des, "computeSelfDihedralsType_%d", i);
877  break;
878  case computeSelfImpropersType:
879  sprintf(user_des, "computeSelfImpropersType_%d", i);
880  break;
881  case computeSelfTholeType:
882  sprintf(user_des, "computeSelfTholeType_%d", i);
883  break;
884  case computeSelfAnisoType:
885  sprintf(user_des, "computeSelfAnisoType_%d", i);
886  break;
887  case computeSelfCrosstermsType:
888  sprintf(user_des, "computeSelfCrosstermsType_%d", i);
889  break;
890 #ifdef DPMTA
891  case computeDPMTAType:
892  sprintf(user_des, "computeDPMTAType_%d", i);
893  break;
894 #endif
895 #ifdef DPME
896  case computeDPMEType:
897  sprintf(user_des, "computeDPMEType_%d", i);
898  break;
899 #endif
900  case computePmeType:
901  sprintf(user_des, "computePMEType_%d", i);
902  break;
903 #if defined(NAMD_CUDA) || defined(NAMD_HIP)
904  case computePmeCUDAType:
905  sprintf(user_des, "computePMECUDAType_%d", i);
906  break;
907 #endif
908  case computeEwaldType:
909  sprintf(user_des, "computeEwaldType_%d", i);
910  break;
911  case computeFullDirectType:
912  sprintf(user_des, "computeFullDirectType_%d", i);
913  break;
914  case computeGlobalType:
915  sprintf(user_des, "computeGlobalType_%d", i);
916  break;
917  case computeStirType:
918  sprintf(user_des, "computeStirType_%d", i);
919  break;
920  case computeExtType:
921  sprintf(user_des, "computeExtType_%d", i);
922  break;
923  case computeQMType:
924  sprintf(user_des, "computeQMType_%d", i);
925  break;
926  case computeEFieldType:
927  sprintf(user_des, "computeEFieldType_%d", i);
928  break;
929  /* BEGIN gf */
930  case computeGridForceType:
931  sprintf(user_des, "computeGridForceType_%d", i);
932  break;
933  /* END gf */
934  case computeSphericalBCType:
935  sprintf(user_des, "computeSphericalBCType_%d", i);
936  break;
937  case computeCylindricalBCType:
938  sprintf(user_des, "computeCylindricalBCType_%d", i);
939  break;
940  case computeTclBCType:
941  sprintf(user_des, "computeTclBCType_%d", i);
942  break;
943  case computeRestraintsType:
944  sprintf(user_des, "computeRestraintsType_%d", i);
945  break;
946  case computeConsForceType:
947  sprintf(user_des, "computeConsForceType_%d", i);
948  break;
949  case computeConsTorqueType:
950  sprintf(user_des, "computeConsTorqueType_%d", i);
951  break;
952  default:
953  NAMD_bug("Unknown compute type in ComputeMgr::registerUserEventForAllComputeObjs().");
954  break;
955  }
956  int user_des_len = strlen(user_des);
957  char *user_des_cst = new char[user_des_len+1];
958  memcpy(user_des_cst, user_des, user_des_len);
959  user_des_cst[user_des_len] = 0;
960  //Since the argument in traceRegisterUserEvent is supposed
961  //to be a const string which will not be copied inside the
962  //function when a new user event is created, user_des_cst
963  //has to be allocated in heap.
964  int reEvenId = traceRegisterUserEvent(user_des_cst, TRACE_COMPOBJ_IDOFFSET+i);
965  //printf("Register user event (%s) with id (%d)\n", user_des, reEvenId);
966  }
967 #else
968  return;
969 #endif
970 }
ComputeMap::numComputes
int numComputes(void)
Definition: ComputeMap.h:101
TRACE_COMPOBJ_IDOFFSET
#define TRACE_COMPOBJ_IDOFFSET
Definition: Compute.h:77
PatchMap::Object
static PatchMap * Object()
Definition: PatchMap.h:27
PatchMap::index_a
int index_a(int pid) const
Definition: PatchMap.h:86
PatchMap::gridsize_c
int gridsize_c(void) const
Definition: PatchMap.h:66
PatchMap::gridsize_a
int gridsize_a(void) const
Definition: PatchMap.h:64
Lattice::offset_b
static NAMD_HOST_DEVICE int offset_b(int i)
Definition: Lattice.h:264
NAMD_bug
void NAMD_bug(const char *err_msg)
Definition: common.C:195
Lattice::offset_c
static NAMD_HOST_DEVICE int offset_c(int i)
Definition: Lattice.h:265
ComputeMap::type
ComputeType type(ComputeID cid)
Definition: ComputeMap.C:118
PatchMap::index_b
int index_b(int pid) const
Definition: PatchMap.h:87
PatchMap::index_c
int index_c(int pid) const
Definition: PatchMap.h:88
Lattice::offset_a
static NAMD_HOST_DEVICE int offset_a(int i)
Definition: Lattice.h:263
ComputeMap::Object
static ComputeMap * Object()
Definition: ComputeMap.h:89
PatchMap::gridsize_b
int gridsize_b(void) const
Definition: PatchMap.h:65
ComputeMap::pid
int pid(ComputeID cid, int i)
Definition: ComputeMap.C:107
ComputeMap::trans
int trans(ComputeID cid, int i)
Definition: ComputeMap.C:112

Variable Documentation

◆ deviceCUDA

__thread DeviceCUDA* deviceCUDA

Definition at line 23 of file DeviceCUDA.C.

Referenced by ComputeMgr::createComputes(), ComputeMgr::recvCudaGlobalMasterCreateMsg(), ComputeMgr::recvCudaGlobalMasterRemoveMsg(), and ComputeMgr::recvCudaGlobalMasterUpdateMsg().

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