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New function for the calculation of the forces, a little bit faster
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@alfaceor
alfaceor committed Jul 9, 2015
1 parent d50189a commit 18af253
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Showing 4 changed files with 170 additions and 15 deletions.
46 changes: 34 additions & 12 deletions alphaXY_TwoHB/Version_002/Gas.cpp
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Original file line number Diff line number Diff line change
Expand Up @@ -27,11 +27,11 @@ Gas::Gas(int const N, double alpha){
this->invNtildeI = new double[N];
this->calculateInvNtildeI();
// cout<<"Ntilde = "<< this->Ntilde<<endl;
cout<<"____ BEGIN invNtildeI ____"<<endl;
for (int i=0; i<N; i++){
cout<< i<< " " <<invNtildeI[i] <<endl;
}
cout<<"____ END invNtildeI ____"<<endl;
// cout<<"____ BEGIN invNtildeI ____"<<endl;
// for (int i=0; i<N; i++){
// cout<< i<< " " <<invNtildeI[i] <<endl;
// }
// cout<<"____ END invNtildeI ____"<<endl;

};

Expand Down Expand Up @@ -93,7 +93,7 @@ void Gas::calculateNtilde(){ // depend of on the value of \alpha
// FIXME: Doesn't depend of part_id
void Gas::calculateInvNtildeI(){ // depend of on the value of \alpha
// calculateInvIJalpha();
cout << "/////////////" << endl;
// cout << "/////////////" << endl;
double auxNtildeI = 0.0;
int delta_ij= 0;
for (int i=0; i<N ; i++){
Expand All @@ -103,28 +103,28 @@ void Gas::calculateInvNtildeI(){ // depend of on the value of \alpha
delta_ij = abs(i-j);
// This is not the inverse of NtildeI
auxNtildeI += inv_ijalpha[delta_ij];
cout<< "( "<< delta_ij << " )" << inv_ijalpha[delta_ij] << " + ";
// cout<< "( "<< delta_ij << " )" << inv_ijalpha[delta_ij] << " + ";
}
// Now we invert the value to get the inverse
invNtildeI[i] = 1.0/auxNtildeI;
}
cout << endl;
cout << "invNtildeI[i] = "<< invNtildeI[i] <<endl;
// cout << endl;
// cout << "invNtildeI[i] = "<< invNtildeI[i] <<endl;
}
cout << "/////////////" << endl;
// cout << "/////////////" << endl;

}

void Gas::calculateInvIJalpha(){ // r_{i,j}^\alpha = |i-j|^\alpha
cout<<" inv_ijalpha[delta_ij] "<<endl;
// cout<<" inv_ijalpha[delta_ij] "<<endl;
this->inv_ijalpha[0] = 0.0;
cout<<inv_ijalpha[0]<<endl;
for (int delta_ij=1; delta_ij<N; delta_ij++){
this->inv_ijalpha[delta_ij] = 1.0/pow(double(fabs(delta_ij)), alpha);
cout<<inv_ijalpha[delta_ij]<<" ";
}
cout<<endl;
cout<<"***************"<<endl;
// cout<<"***************"<<endl;
}


Expand Down Expand Up @@ -287,6 +287,28 @@ void Gas::calculateForceAlpha2(double eps){
// cout<<"-----"<<endl;
}

//Function to calculate most efficiently the forces.
void Gas::calculateForceAlpha3(double eps){
double sinthetaij=0.0;
double f_ij = 0.0;
// Initiate all forces to zero.
for (int i=0; i<N; i++){
force[i] = 0.0;
}
for (int i=0; i<N; i++){
// force[i] = 0.0;
for (int j=i+1; j<N; j++){
// sinthetaij = sin(theta[i]-theta[j]);
sinthetaij = vec_m[indx(i,1)]*vec_m[indx(j,0)] - vec_m[indx(i,0)]*vec_m[indx(j,1)];
f_ij = -0.5*eps*(invNtildeI[i]+ invNtildeI[j])*sinthetaij*inv_ijalpha[abs(i-j)];
force[i] += f_ij;
force[j] += -f_ij;
}
// cout<<"force["<<i<<"]="<<force[i]<<endl;
}
// cout<<"-----"<<endl;
}


// Heat reservatories
void Gas::addHeatBathTo(int partID, double Temp, double dt, double gamma, gsl_rng *r){
Expand Down
1 change: 1 addition & 0 deletions alphaXY_TwoHB/Version_002/Gas.h
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Original file line number Diff line number Diff line change
Expand Up @@ -59,6 +59,7 @@ class Gas{
void calculateForceFNB(double eps);
void calculateForceAlpha(double eps);
void calculateForceAlpha2(double eps);
void calculateForceAlpha3(double eps);



Expand Down
9 changes: 6 additions & 3 deletions alphaXY_TwoHB/Version_002/mainAlphaTwoHB001.cpp
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Original file line number Diff line number Diff line change
Expand Up @@ -64,7 +64,7 @@ int main(int argc, char **argv){
// 1. Calculate ___force_old___.
g_old.calculateVec_m(); //-- 1.1 Calculate m_old.
g_old.calculateVec_M(); //-- 1.2 Calculate M_old.
g_old.calculateForceAlpha2(io.eps); //-- 1.3 Calculate force_old with M_old
g_old.calculateForceAlpha3(io.eps); //-- 1.3 Calculate force_old with M_old


// for (int i=0; i<io.N; i++)
Expand All @@ -85,7 +85,7 @@ int main(int argc, char **argv){
// 3. Calculate ___force_new___
g_new.calculateVec_m(); //-- 3.1 Calculate m_new
g_new.calculateVec_M(); //-- 3.2 Calculate M_new
g_new.calculateForceAlpha2(io.eps); //-- 3.3 Calculate force_new with M_new
g_new.calculateForceAlpha3(io.eps); //-- 3.3 Calculate force_new with M_new

// 4. Calculate ___omega_new___
g_new.updateVeloc(&g_old, io.dt, &hb01, &hb02);
Expand Down Expand Up @@ -125,7 +125,8 @@ int main(int argc, char **argv){
// 3. Calculate ___force_new___
g_old.calculateVec_m(); //-- 3.1 Calculate m_new
g_old.calculateVec_M(); //-- 3.2 Calculate M_new
g_old.calculateForceAlpha2(io.eps); //-- 3.3 Calculate force_new with M_new
g_old.calculateForceAlpha3(io.eps); //-- 3.3 Calculate force_new with M_new

// g_old.calculateForce(io.eps); //-- 3.3 Calculate force_new with M_new

// 4. Calculate ___omega_new___
Expand Down Expand Up @@ -171,6 +172,8 @@ int main(int argc, char **argv){
ofile4<<i<<" "<<2.0*MeanTimeEk_n[i]<<endl;
}



g_new.writeMicroState(&ofile3, io.ttime, io.dt);
ofile3.close();
ofile4.close();
Expand Down
129 changes: 129 additions & 0 deletions log_cluster
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2015/06/18 02:35:29 [23112] receiving file list
2015/06/18 02:35:31 [23115] .d..t...... alphaXY_TwoHB/Case001/
2015/06/18 02:35:31 [23115] >f+++++++++ alphaXY_TwoHB/Case001/ThermoQua13__N_0000000040__A_0.00_NoHB.DAT
2015/06/18 02:35:31 [23115] >f+++++++++ alphaXY_TwoHB/Case001/ThermoQuaXXX__N_0000000040__A_0.00_NoHB.DAT
2015/06/18 02:35:31 [23115] >f+++++++++ alphaXY_TwoHB/Case001/ThermoQuaXXX__N_0000000040__A_0.50_NoHB.DAT
2015/06/18 02:35:31 [23115] >f+++++++++ alphaXY_TwoHB/Case001/ThermoQuaXXX__N_0000000040__A_1.00_NoHB.DAT
2015/06/18 02:35:31 [23115] >f+++++++++ alphaXY_TwoHB/Case001/ThermoQuaYYY__N_0000000040__A_0.50_NoHB.DAT
2015/06/18 02:35:31 [23115] .d..t...... alphaXY_TwoHB/Case001/N_0000000040__U0_0.10/
2015/06/18 02:35:31 [23115] .d..t...... alphaXY_TwoHB/Case001/N_0000000040__U0_0.10/T1_0.00__T2_0.00__A_0.50/
2015/06/18 02:35:31 [23115] .d..t...... alphaXY_TwoHB/Case001/N_0000000040__U0_0.10/T1_0.00__T2_0.00__A_1.00/
2015/06/18 02:35:31 [23115] .d..t...... alphaXY_TwoHB/Case001/N_0000000040__U0_0.10/T1_0.00__T2_0.00__A_1.50/
2015/06/18 02:35:31 [23115] .d..t...... alphaXY_TwoHB/Case001/N_0000000040__U0_0.30/
2015/06/18 02:35:31 [23115] .d..t...... alphaXY_TwoHB/Case001/N_0000000040__U0_0.30/T1_0.00__T2_0.00__A_0.50/
2015/06/18 02:35:31 [23115] .d..t...... alphaXY_TwoHB/Case001/N_0000000040__U0_0.30/T1_0.00__T2_0.00__A_1.00/
2015/06/18 02:35:31 [23115] .d..t...... alphaXY_TwoHB/Case001/N_0000000040__U0_0.30/T1_0.00__T2_0.00__A_1.50/
2015/06/18 02:35:31 [23115] .d..t...... alphaXY_TwoHB/Case001/N_0000000040__U0_0.50/
2015/06/18 02:35:31 [23115] .d..t...... alphaXY_TwoHB/Case001/N_0000000040__U0_0.50/T1_0.00__T2_0.00__A_0.50/
2015/06/18 02:35:31 [23115] .d..t...... alphaXY_TwoHB/Case001/N_0000000040__U0_0.50/T1_0.00__T2_0.00__A_1.00/
2015/06/18 02:35:31 [23115] .d..t...... alphaXY_TwoHB/Case001/N_0000000040__U0_0.50/T1_0.00__T2_0.00__A_1.50/
2015/06/18 02:35:31 [23115] .d..t...... alphaXY_TwoHB/Case001/N_0000000040__U0_0.70/
2015/06/18 02:35:31 [23115] .d..t...... alphaXY_TwoHB/Case001/N_0000000040__U0_0.70/T1_0.00__T2_0.00__A_0.50/
2015/06/18 02:35:31 [23115] .d..t...... alphaXY_TwoHB/Case001/N_0000000040__U0_0.70/T1_0.00__T2_0.00__A_1.00/
2015/06/18 02:35:31 [23115] .d..t...... alphaXY_TwoHB/Case001/N_0000000040__U0_0.70/T1_0.00__T2_0.00__A_1.50/
2015/06/18 02:35:31 [23115] .d..t...... alphaXY_TwoHB/Case001/N_0000000040__U0_0.90/
2015/06/18 02:35:31 [23115] .d..t...... alphaXY_TwoHB/Case001/N_0000000040__U0_0.90/T1_0.00__T2_0.00__A_0.50/
2015/06/18 02:35:31 [23115] .d..t...... alphaXY_TwoHB/Case001/N_0000000040__U0_0.90/T1_0.00__T2_0.00__A_1.00/
2015/06/18 02:35:31 [23115] .d..t...... alphaXY_TwoHB/Case001/N_0000000040__U0_0.90/T1_0.00__T2_0.00__A_1.50/
2015/06/18 02:35:31 [23115] .d..t...... alphaXY_TwoHB/Case001/N_0000000040__U0_1.10/
2015/06/18 02:35:31 [23115] .d..t...... alphaXY_TwoHB/Case001/N_0000000040__U0_1.10/T1_0.00__T2_0.00__A_0.50/
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2015/06/18 02:35:31 [23115] .d..t...... alphaXY_TwoHB/Case001/N_0000000040__U0_1.10/T1_0.00__T2_0.00__A_1.50/
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2015/06/18 02:35:31 [23115] .d..t...... alphaXY_TwoHB/Case001/N_0000000040__U0_1.30/T1_0.00__T2_0.00__A_0.50/
2015/06/18 02:35:31 [23115] .d..t...... alphaXY_TwoHB/Case001/N_0000000040__U0_1.30/T1_0.00__T2_0.00__A_1.00/
2015/06/18 02:35:31 [23115] .d..t...... alphaXY_TwoHB/Case001/N_0000000040__U0_1.30/T1_0.00__T2_0.00__A_1.50/
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2015/06/18 02:35:31 [23115] .d..t...... alphaXY_TwoHB/Case001/N_0000000040__U0_1.50/T1_0.00__T2_0.00__A_1.00/
2015/06/18 02:35:31 [23115] .d..t...... alphaXY_TwoHB/Case001/N_0000000040__U0_1.50/T1_0.00__T2_0.00__A_1.50/
2015/06/18 02:35:31 [23115] cd+++++++++ alphaXY_TwoHB/Case001/Ntilde_0000000040__U0_0.10/
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2015/06/18 02:35:31 [23115] cd+++++++++ alphaXY_TwoHB/Case001/Ntilde_0000000040__U0_0.30/
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2015/06/18 02:35:31 [23115] cd+++++++++ alphaXY_TwoHB/Case001/Ntilde_0000000040__U0_0.30/T1_0.00__T2_0.00__A_1.00/
2015/06/18 02:35:31 [23115] cd+++++++++ alphaXY_TwoHB/Case001/Ntilde_0000000040__U0_0.30/T1_0.00__T2_0.00__A_1.50/
2015/06/18 02:35:31 [23115] cd+++++++++ alphaXY_TwoHB/Case001/Ntilde_0000000040__U0_0.30/T1_0.35__T2_0.25__A_0.50/
2015/06/18 02:35:31 [23115] cd+++++++++ alphaXY_TwoHB/Case001/Ntilde_0000000040__U0_0.40/
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2015/06/18 02:35:31 [23115] cd+++++++++ alphaXY_TwoHB/Case001/Ntilde_0000000040__U0_0.70/
2015/06/18 02:35:31 [23115] cd+++++++++ alphaXY_TwoHB/Case001/Ntilde_0000000040__U0_0.70/T1_0.00__T2_0.00__A_0.00/
2015/06/18 02:35:31 [23115] cd+++++++++ alphaXY_TwoHB/Case001/Ntilde_0000000040__U0_0.70/T1_0.00__T2_0.00__A_0.50/
2015/06/18 02:35:31 [23115] cd+++++++++ alphaXY_TwoHB/Case001/Ntilde_0000000040__U0_0.70/T1_0.00__T2_0.00__A_1.00/
2015/06/18 02:35:31 [23115] cd+++++++++ alphaXY_TwoHB/Case001/Ntilde_0000000040__U0_0.70/T1_0.00__T2_0.00__A_1.50/
2015/06/18 02:35:31 [23115] cd+++++++++ alphaXY_TwoHB/Case001/Ntilde_0000000040__U0_0.70/T1_0.55__T2_0.45__A_0.50/
2015/06/18 02:35:31 [23115] cd+++++++++ alphaXY_TwoHB/Case001/Ntilde_0000000040__U0_0.70/T1_0.75__T2_0.65__A_0.50/
2015/06/18 02:35:31 [23115] cd+++++++++ alphaXY_TwoHB/Case001/Ntilde_0000000040__U0_0.80/
2015/06/18 02:35:31 [23115] cd+++++++++ alphaXY_TwoHB/Case001/Ntilde_0000000040__U0_0.80/T1_0.00__T2_0.00__A_0.50/
2015/06/18 02:35:31 [23115] cd+++++++++ alphaXY_TwoHB/Case001/Ntilde_0000000040__U0_0.80/T1_0.60__T2_0.50__A_0.50/
2015/06/18 02:35:31 [23115] cd+++++++++ alphaXY_TwoHB/Case001/Ntilde_0000000040__U0_0.90/
2015/06/18 02:35:31 [23115] cd+++++++++ alphaXY_TwoHB/Case001/Ntilde_0000000040__U0_0.90/T1_0.00__T2_0.00__A_0.00/
2015/06/18 02:35:31 [23115] cd+++++++++ alphaXY_TwoHB/Case001/Ntilde_0000000040__U0_0.90/T1_0.00__T2_0.00__A_0.50/
2015/06/18 02:35:31 [23115] cd+++++++++ alphaXY_TwoHB/Case001/Ntilde_0000000040__U0_0.90/T1_0.00__T2_0.00__A_1.00/
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2015/06/18 02:35:31 [23115] cd+++++++++ alphaXY_TwoHB/Case001/Ntilde_0000000040__U0_1.00/
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2015/06/18 02:35:31 [23115] cd+++++++++ alphaXY_TwoHB/Case001/Ntilde_0000000040__U0_1.00/T1_0.90__T2_0.70__A_0.75/
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2015/06/18 02:35:31 [23115] cd+++++++++ alphaXY_TwoHB/Case001/Ntilde_0000000040__U0_1.00/T1_0.90__T2_0.70__A_9.00/
2015/06/18 02:35:31 [23115] cd+++++++++ alphaXY_TwoHB/Case001/Ntilde_0000000040__U0_1.10/
2015/06/18 02:35:31 [23115] cd+++++++++ alphaXY_TwoHB/Case001/Ntilde_0000000040__U0_1.10/T1_0.00__T2_0.00__A_0.00/
2015/06/18 02:35:31 [23115] cd+++++++++ alphaXY_TwoHB/Case001/Ntilde_0000000040__U0_1.10/T1_0.00__T2_0.00__A_0.50/
2015/06/18 02:35:31 [23115] cd+++++++++ alphaXY_TwoHB/Case001/Ntilde_0000000040__U0_1.10/T1_0.00__T2_0.00__A_1.00/
2015/06/18 02:35:31 [23115] cd+++++++++ alphaXY_TwoHB/Case001/Ntilde_0000000040__U0_1.10/T1_0.00__T2_0.00__A_1.50/
2015/06/18 02:35:31 [23115] cd+++++++++ alphaXY_TwoHB/Case001/Ntilde_0000000040__U0_1.30/
2015/06/18 02:35:31 [23115] cd+++++++++ alphaXY_TwoHB/Case001/Ntilde_0000000040__U0_1.30/T1_0.00__T2_0.00__A_0.00/
2015/06/18 02:35:31 [23115] cd+++++++++ alphaXY_TwoHB/Case001/Ntilde_0000000040__U0_1.30/T1_0.00__T2_0.00__A_0.50/
2015/06/18 02:35:31 [23115] cd+++++++++ alphaXY_TwoHB/Case001/Ntilde_0000000040__U0_1.30/T1_0.00__T2_0.00__A_1.00/
2015/06/18 02:35:31 [23115] cd+++++++++ alphaXY_TwoHB/Case001/Ntilde_0000000040__U0_1.30/T1_0.00__T2_0.00__A_1.50/
2015/06/18 02:35:31 [23115] cd+++++++++ alphaXY_TwoHB/Case001/Ntilde_0000000040__U0_1.50/
2015/06/18 02:35:31 [23115] cd+++++++++ alphaXY_TwoHB/Case001/Ntilde_0000000040__U0_1.50/T1_0.00__T2_0.00__A_0.00/
2015/06/18 02:35:31 [23115] cd+++++++++ alphaXY_TwoHB/Case001/Ntilde_0000000040__U0_1.50/T1_0.00__T2_0.00__A_0.50/
2015/06/18 02:35:31 [23115] cd+++++++++ alphaXY_TwoHB/Case001/Ntilde_0000000040__U0_1.50/T1_0.00__T2_0.00__A_1.00/
2015/06/18 02:35:31 [23115] cd+++++++++ alphaXY_TwoHB/Case001/Ntilde_0000000040__U0_1.50/T1_0.00__T2_0.00__A_1.50/
2015/06/18 02:35:31 [23115] cd+++++++++ alphaXY_TwoHB/Case001/Ntilde_0000000040__U0_1.50/T1_1.80__T2_1.70__A_0.50/
2015/06/18 02:35:31 [23115] cd+++++++++ alphaXY_TwoHB/Case001/Ntilde_0000000040__U0_2.00/
2015/06/18 02:35:31 [23115] cd+++++++++ alphaXY_TwoHB/Case001/Ntilde_0000000040__U0_2.00/T1_0.00__T2_0.00__A_0.50/
2015/06/18 02:35:31 [23115] cd+++++++++ alphaXY_TwoHB/Case001/Ntilde_0000000040__U0_2.00/T1_2.80__T2_2.70__A_0.50/
2015/06/18 02:35:31 [23115] cd+++++++++ alphaXY_TwoHB/Case001/Ntilde_0000000040__U0_3.00/
2015/06/18 02:35:31 [23115] cd+++++++++ alphaXY_TwoHB/Case001/Ntilde_0000000040__U0_3.00/T1_0.00__T2_0.00__A_0.50/
2015/06/18 02:35:31 [23115] cd+++++++++ alphaXY_TwoHB/Case001/Ntilde_0000000040__U0_3.00/T1_4.80__T2_4.70__A_0.50/
2015/06/18 02:35:31 [23115] sent 646 bytes received 10916 bytes 4624.80 bytes/sec
2015/06/18 02:35:31 [23115] total size is 16071 speedup is 1.39

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