double log_fc_eta3(double eta, double tau_epsilon, double a_vp,
double b_vp, double* conc, double* time, double kep,
double ktrans, int T, double* settings) {
double p = 0.0;
double a, b;
int t;
for (t=0; t<T; t++) {
a = aif(time[t], settings);
b = conc[t] - ktrans * convterm(kep, time[t], settings);
p -= 0.5 * tau_epsilon * (a * eta - b) * (a * eta - b);
}
p += (a_vp - 1) * log(eta) + (b_vp - 1) * log(1 - eta);
return p;
}
double extraterm(double vp, double time, double* settings) {
return(vp * aif(time, settings));
}
int RSOSObs<T,U>::parallelReceive()
{
if(!this->MPIEnabled)
return NOTALLOWED;
#ifndef NOBRANCH
cavgQ.clear();
cavgQ2.clear();
avgH.clear();
avgH2.clear();
avgN.clear();
avgN2.clear();
#endif
//Wait for all processes to get here
MPI_Barrier(MPI_COMM_WORLD);
for(int procId=1;procId<this->procCount;procId++)
{
int tag,recv;
MPI_Status stat;
MPI_Send(&recv,1,MPI_INT,procId,tag,MPI_COMM_WORLD);
#if DEBUG >= 2
fprintf(this->log,"RSOSObs Sending notification to process:%d\n",procId);
fflush(this->log);
#endif
MPI_Recv(&this->ltime,1,MPI_UNSIGNED,procId,tag,MPI_COMM_WORLD,&stat);
this->freeEnergy.mpiReceive(procId);
this->Qx.mpiReceive(procId);
this->Qx2.mpiReceive(procId);
this->eH.mpiReceive(procId);
this->eN.mpiReceive(procId);
#ifndef NOBRANCH
int lsize;
MPI_Recv(&lsize,1,MPI_INT,procId,tag,MPI_COMM_WORLD,&stat);
vector<vect<double>> tempcQ(lsize);
vector<vect<double>> tempcQ2(lsize);
if(this->cavgQ.size()<lsize)
{
cavgQ.resize(lsize);
cavgQ2.resize(lsize);
avgH.resize(lsize);
avgH2.resize(lsize);
avgN.resize(lsize);
avgN2.resize(lsize);
}
MPI_Recv(tempcQ.data(),lsize*3,MPI_DOUBLE,procId,tag,MPI_COMM_WORLD,&stat);
MPI_Recv(tempcQ2.data(),lsize*3,MPI_DOUBLE,procId,tag,MPI_COMM_WORLD,&stat);
vector<double> tempH(lsize), tempH2(lsize);
vector<int> tempN(lsize), tempN2(lsize);
MPI_Recv(tempH.data(),lsize,MPI_DOUBLE,procId,tag,MPI_COMM_WORLD,&stat);
MPI_Recv(tempH2.data(),lsize,MPI_DOUBLE,procId,tag,MPI_COMM_WORLD,&stat);
MPI_Recv(tempN.data(),lsize,MPI_INT,procId,tag,MPI_COMM_WORLD,&stat);
MPI_Recv(tempN2.data(),lsize,MPI_INT,procId,tag,MPI_COMM_WORLD,&stat);
for(int i = 0;i<lsize;i++)
{
cavgQ[i].x += tempcQ[i].x;
cavgQ2[i].x += tempcQ2[i].x;
avgH[i] += tempH[i];
avgH2[i] += tempH2[i];
avgN[i] += tempN[i];
avgN2[i] += tempN2[i];
}
#endif
#if DEBUG >= 2
fprintf(this->log,"RSOSObs Finished receiving from process:%d\n",procId);
fflush(this->log);
#endif
}
//Compute observables
this->Zcount++;
double it = 1.0/(this->ltime*this->dt);
double lqx = (Qx/freeEnergy).value();
this->Q.x += it*lqx;
this->Q2.x += it*it*lqx*lqx;
double lvx = it*((Qx2/freeEnergy).value() - lqx*lqx);
this->V.x += lvx;
this->V2.x += lvx*lvx;
double offset = log(this->totalWalkers);
double temp = it*(freeEnergy.logValue()-offset);
this->fe += temp;
this->fe2 += temp*temp;
double lqN = (eN/freeEnergy).value()*it;
double lqH = (eH/freeEnergy).value()*it;
this->gN += lqN;
this->N2 += lqN*lqN;
this->H += lqH;
this->H2 += lqH*lqH;
#ifndef NOBRANCH
//Average Trajectory
int lsize = cavgQ.size();
double ait = it/lsize;
double avgqx = 0.0, avgqx2 = 0.0;
double avgh = 0.0, avgh2 = 0.0;
double avgn = 0.0, avgn2 = 0.0;
#if 1
ofstream dif(this->baseFileName + "A",std::ofstream::out);
#endif
for(int i = 0;i<lsize;i++)
{
double lqx = cavgQ[i].x/this->totalWalkers;
avgqx += lqx;
double lqx2 = (cavgQ2[i].x/totalWalkers - lqx*lqx);
avgqx2 += lqx2;
double lh = (avgH[i]/totalWalkers);
avgh += lh;
double lh2 = (avgH2[i]/totalWalkers - lh*lh);
avgh2 += lh2;
double ln = (avgN[i]/totalWalkers);
avgn += ln;
double ln2 = (avgN2[i]/totalWalkers - ln*ln);
avgn2 += ln2;
#if 1
dif<<i<<" "<<lqx*it<<" "<<lqx2*it<<
" "<<lh*it<<" "<<ln*it<<endl;
#endif
}
#if 1
dif<<"--------------------------\n";
dif.close();
#endif
avgqx2 *= ait;
avgqx *= ait;
avgh *= ait;
avgn2 *= ait;
avgn *= ait;
#endif
lqx*=it;
ofstream wif(this->baseFileName + "E",std::ofstream::app);
wif<<ltime*dt<<" "<<temp<<" "<<lqx<<" "<<lvx
<<" "<<lqN<<" "<<lqH<<endl;
wif.close();
#ifndef NOBRANCH
ofstream aif(this->baseFileName + "D",std::ofstream::app);
aif<<(this->ltime*this->dt)*lsize<<" "<<avgqx<<" "<<avgqx2
<<" "<<avgh<<" "<<avgh2<<" "<<avgn<<" "<<avgn2<<endl;
aif.close();
#endif
//Reset for next collection
freeEnergy.resetValue();
Qx.resetValue();
Qx2.resetValue();
eH.resetValue();
eN.resetValue();
#ifndef NOBRANCH
#endif
}
