20 #define MIC_MAX_DEVICES_PER_NODE ( 16 ) 108 #if NAMD_SeparateWaters != 0 109 int getNumWaterAtoms()
const {
return numWaterAtoms; }
120 CompAtomFlt* getCompAtomFlt() {
return pFlt.begin(); }
123 AVXTiles* getTiles() {
return &tiles; }
131 #if defined(NAMD_MIC) // NOTE: Used for submit atoms on arrival 132 pthread_mutex_t mic_atomData_mutex;
134 void* mic_atomData_prev[MIC_MAX_DEVICES_PER_NODE];
135 int mic_atomData_seq;
136 int mic_atomData_deviceSeq[MIC_MAX_DEVICES_PER_NODE];
137 uint64_t mic_atomData_devicePtr[MIC_MAX_DEVICES_PER_NODE];
138 int mic_atomData_allocSize_host;
139 int mic_atomData_allocSize_device[MIC_MAX_DEVICES_PER_NODE];
142 #if defined(NODEGROUP_FORCE_REGISTER) 143 int nbond_compute_position;
144 int bond_compute_position;
145 int slow_compute_position;
174 #if NAMD_SeparateWaters != 0 183 CompAtomFltList pFlt;
189 #ifdef REMOVE_PROXYDATAMSG_EXTRACOPY 254 #ifdef NODEAWARE_PROXY_SPANNINGTREE 256 #ifdef USE_NODEPATCHMGR ComputePtrList forceComputeList
Box< Patch, GBReal > * registerDEdaSumDeposit(Compute *cid)
Box< Patch, CompAtom > * registerAvgPositionPickup(Compute *cid)
ComputePtrList dHdrPrefixComputeList
int getNumFixedAtoms() const
int computesSortedByPriority
void unregisterAvgPositionPickup(Compute *cid, Box< Patch, CompAtom > **const box)
ComputePtrList dEdaSumComputeList
OwnerBox< Patch, Results > forceBox
ComputePtrList psiSumComputeList
void unregisterPsiSumDeposit(Compute *cid, Box< Patch, GBReal > **const box)
void dHdrPrefixBoxClosed(void)
CompAtom * velocityPtrEnd
SortedArray< Compute * > ComputePtrList
OwnerBox< Patch, Real > bornRadBox
void unregisterForceDeposit(Compute *cid, Box< Patch, Results > **const box)
OwnerBox< Patch, int > lcpoTypeBox
void unregisterDHdrPrefixPickup(Compute *cid, Box< Patch, Real > **const box)
CompAtom * avgPositionPtrEnd
ComputePtrList lcpoTypeComputeList
Box< Patch, Real > * registerBornRadPickup(Compute *cid)
void dEdaSumBoxClosed(void)
Box< Patch, int > * registerLcpoTypePickup(Compute *cid)
void forceBoxClosed(void)
ComputePtrList avgPositionComputeList
Box< Patch, GBReal > * registerPsiSumDeposit(Compute *cid)
CudaAtom * getCudaAtomList()
OwnerBox< Patch, CompAtom > avgPositionBox
Box< Patch, Real > * registerIntRadPickup(Compute *cid)
OwnerBox< Patch, CompAtom > positionBox
CompAtom * getCompAtomInfo()
void setNumFixedAtoms(int numFixed)
PatchID getPatchID() const
void lcpoTypeBoxClosed(void)
CompAtom * avgPositionPtrBegin
OwnerBox< Patch, CompAtom > velocityBox
ComputePtrList intRadComputeList
void unregisterBornRadPickup(Compute *cid, Box< Patch, Real > **const box)
ComputePtrList positionComputeList
OwnerBox< Patch, Real > intRadBox
void unregisterPositionPickup(Compute *cid, Box< Patch, CompAtom > **const box)
OwnerBox< Patch, Real > dHdrPrefixBox
OwnerBox< Patch, GBReal > dEdaSumBox
void unregisterIntRadPickup(Compute *cid, Box< Patch, Real > **const box)
int getNumComputes() const
Box< Patch, Real > * registerDHdrPrefixPickup(Compute *cid)
void bornRadBoxClosed(void)
void positionBoxClosed(void)
void unregisterVelocityPickup(Compute *cid, Box< Patch, CompAtom > **const box)
void avgPositionBoxClosed(void)
ForceList f[Results::maxNumForces]
void velocityBoxClosed(void)
ComputePtrList velocityComputeList
void positionsReady(int n=0, int startup=1)
void unregisterDEdaSumDeposit(Compute *cid, Box< Patch, GBReal > **const box)
OwnerBox< Patch, GBReal > psiSumBox
void intRadBoxClosed(void)
ComputePtrList bornRadComputeList
void psiSumBoxClosed(void)
Box< Patch, CompAtom > * registerVelocityPickup(Compute *cid)
void unregisterLcpoTypePickup(Compute *cid, Box< Patch, int > **const box)
virtual void boxClosed(int)=0
Box< Patch, CompAtom > * registerPositionPickup(Compute *cid)
CompAtom * velocityPtrBegin
CompAtomExt * getCompAtomExtInfo()
Box< Patch, Results > * registerForceDeposit(Compute *cid)