Some HMWSoln optimizations.
Mostly replacing some repeated divisions with 1 division and then multiplication by the inverse. Saved ~10% on test problem of interest.
This commit is contained in:
Victor Brunini
parent
4c4836fd18
commit
935a20fc87
1 changed files with 87 additions and 70 deletions
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@ -1637,6 +1637,10 @@ void HMWSoln::s_updatePitzer_CoeffWRTemp(int doDerivs) const
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const double* CphiMX_coeff;
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const double* Theta_coeff;
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double T = temperature();
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const double twoT = 2.0 * T;
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const double invT = 1.0 / T;
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const double invT2 = invT * invT;
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const double twoinvT3 = 2.0 * invT * invT2;
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double Tr = m_TempPitzerRef;
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double tinv = 0.0, tln = 0.0, tlin = 0.0, tquad = 0.0;
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if (m_formPitzerTemp == PITZER_TEMP_LINEAR) {
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@ -1726,56 +1730,56 @@ void HMWSoln::s_updatePitzer_CoeffWRTemp(int doDerivs) const
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+ Theta_coeff[4]*tln;
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m_Beta0MX_ij_L[counterIJ] = beta0MX_coeff[1]
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+ beta0MX_coeff[2]*2.0*T
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- beta0MX_coeff[3]/(T*T)
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+ beta0MX_coeff[4]/T;
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+ beta0MX_coeff[2]*twoT
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- beta0MX_coeff[3]*invT2
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+ beta0MX_coeff[4]*invT;
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m_Beta1MX_ij_L[counterIJ] = beta1MX_coeff[1]
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+ beta1MX_coeff[2]*2.0*T
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- beta1MX_coeff[3]/(T*T)
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+ beta1MX_coeff[4]/T;
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+ beta1MX_coeff[2]*twoT
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- beta1MX_coeff[3]*invT2
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+ beta1MX_coeff[4]*invT;
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m_Beta2MX_ij_L[counterIJ] = beta2MX_coeff[1]
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+ beta2MX_coeff[2]*2.0*T
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- beta2MX_coeff[3]/(T*T)
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+ beta2MX_coeff[4]/T;
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+ beta2MX_coeff[2]*twoT
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- beta2MX_coeff[3]*invT2
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+ beta2MX_coeff[4]*invT;
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m_CphiMX_ij_L[counterIJ] = CphiMX_coeff[1]
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+ CphiMX_coeff[2]*2.0*T
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- CphiMX_coeff[3]/(T*T)
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+ CphiMX_coeff[4]/T;
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+ CphiMX_coeff[2]*twoT
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- CphiMX_coeff[3]*invT2
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+ CphiMX_coeff[4]*invT;
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m_Theta_ij_L[counterIJ] = Theta_coeff[1]
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+ Theta_coeff[2]*2.0*T
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- Theta_coeff[3]/(T*T)
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+ Theta_coeff[4]/T;
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+ Theta_coeff[2]*twoT
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- Theta_coeff[3]*invT2
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+ Theta_coeff[4]*invT;
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doDerivs = 2;
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if (doDerivs > 1) {
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m_Beta0MX_ij_LL[counterIJ] =
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+ beta0MX_coeff[2]*2.0
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+ 2.0*beta0MX_coeff[3]/(T*T*T)
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- beta0MX_coeff[4]/(T*T);
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+ beta0MX_coeff[3]*twoinvT3
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- beta0MX_coeff[4]*invT2;
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m_Beta1MX_ij_LL[counterIJ] =
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+ beta1MX_coeff[2]*2.0
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+ 2.0*beta1MX_coeff[3]/(T*T*T)
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- beta1MX_coeff[4]/(T*T);
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+ beta1MX_coeff[3]*twoinvT3
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- beta1MX_coeff[4]*invT2;
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m_Beta2MX_ij_LL[counterIJ] =
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+ beta2MX_coeff[2]*2.0
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+ 2.0*beta2MX_coeff[3]/(T*T*T)
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- beta2MX_coeff[4]/(T*T);
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+ beta2MX_coeff[3]*twoinvT3
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- beta2MX_coeff[4]*invT2;
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m_CphiMX_ij_LL[counterIJ] =
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+ CphiMX_coeff[2]*2.0
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+ 2.0*CphiMX_coeff[3]/(T*T*T)
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- CphiMX_coeff[4]/(T*T);
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+ CphiMX_coeff[3]*twoinvT3
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- CphiMX_coeff[4]*invT2;
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m_Theta_ij_LL[counterIJ] =
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+ Theta_coeff[2]*2.0
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+ 2.0*Theta_coeff[3]/(T*T*T)
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- Theta_coeff[4]/(T*T);
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+ Theta_coeff[3]*twoinvT3
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- Theta_coeff[4]*invT2;
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}
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#ifdef DEBUG_HKM
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@ -1819,14 +1823,14 @@ void HMWSoln::s_updatePitzer_CoeffWRTemp(int doDerivs) const
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+ Lambda_coeff[4]*tln;
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m_Lambda_nj_L(i,j) = Lambda_coeff[1]
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+ Lambda_coeff[2]*2.0*T
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- Lambda_coeff[3]/(T*T)
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+ Lambda_coeff[4]/T;
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+ Lambda_coeff[2]*twoT
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- Lambda_coeff[3]*invT2
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+ Lambda_coeff[4]*invT;
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m_Lambda_nj_LL(i,j) =
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Lambda_coeff[2]*2.0
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+ 2.0*Lambda_coeff[3]/(T*T*T)
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- Lambda_coeff[4]/(T*T);
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+ Lambda_coeff[3]*twoinvT3
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- Lambda_coeff[4]*invT2;
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}
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if (j == i) {
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@ -1848,57 +1852,70 @@ void HMWSoln::s_updatePitzer_CoeffWRTemp(int doDerivs) const
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+ Mu_coeff[4]*tln;
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m_Mu_nnn_L[i] = Mu_coeff[1]
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+ Mu_coeff[2]*2.0*T
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- Mu_coeff[3]/(T*T)
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+ Mu_coeff[4]/T;
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+ Mu_coeff[2]*twoT
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- Mu_coeff[3]*invT2
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+ Mu_coeff[4]*invT;
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m_Mu_nnn_LL[i] =
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Mu_coeff[2]*2.0
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+ 2.0*Mu_coeff[3]/(T*T*T)
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- Mu_coeff[4]/(T*T);
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+ Mu_coeff[3]*twoinvT3
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- Mu_coeff[4]*invT2;
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}
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}
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}
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}
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}
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const double twoT = 2.0 * T;
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const double invT = 1.0 / T;
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const double invT2 = invT * invT;
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const double twoinvT3 = 2.0 * invT * invT2;
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for (i = 1; i < m_kk; i++) {
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for (j = 1; j < m_kk; j++) {
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for (size_t k = 1; k < m_kk; k++) {
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n = i * m_kk *m_kk + j * m_kk + k ;
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const double* Psi_coeff = m_Psi_ijk_coeff.ptrColumn(n);
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switch (m_formPitzerTemp) {
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case PITZER_TEMP_CONSTANT:
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m_Psi_ijk[n] = Psi_coeff[0];
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break;
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case PITZER_TEMP_LINEAR:
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m_Psi_ijk[n] = Psi_coeff[0] + Psi_coeff[1]*tlin;
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m_Psi_ijk_L[n] = Psi_coeff[1];
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m_Psi_ijk_LL[n] = 0.0;
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break;
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case PITZER_TEMP_COMPLEX1:
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m_Psi_ijk[n] = Psi_coeff[0]
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+ Psi_coeff[1]*tlin
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+ Psi_coeff[2]*tquad
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+ Psi_coeff[3]*tinv
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+ Psi_coeff[4]*tln;
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switch(m_formPitzerTemp) {
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case PITZER_TEMP_CONSTANT:
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for (i = 1; i < m_kk; i++) {
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for (j = 1; j < m_kk; j++) {
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for (size_t k = 1; k < m_kk; k++) {
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n = i * m_kk *m_kk + j * m_kk + k ;
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const double* Psi_coeff = m_Psi_ijk_coeff.ptrColumn(n);
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m_Psi_ijk[n] = Psi_coeff[0];
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}
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}
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}
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break;
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case PITZER_TEMP_LINEAR:
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for (i = 1; i < m_kk; i++) {
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for (j = 1; j < m_kk; j++) {
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for (size_t k = 1; k < m_kk; k++) {
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n = i * m_kk *m_kk + j * m_kk + k ;
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const double* Psi_coeff = m_Psi_ijk_coeff.ptrColumn(n);
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m_Psi_ijk[n] = Psi_coeff[0] + Psi_coeff[1]*tlin;
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m_Psi_ijk_L[n] = Psi_coeff[1];
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m_Psi_ijk_LL[n] = 0.0;
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}
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}
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}
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break;
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case PITZER_TEMP_COMPLEX1:
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for (i = 1; i < m_kk; i++) {
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for (j = 1; j < m_kk; j++) {
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for (size_t k = 1; k < m_kk; k++) {
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n = i * m_kk *m_kk + j * m_kk + k ;
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const double* Psi_coeff = m_Psi_ijk_coeff.ptrColumn(n);
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m_Psi_ijk[n] = Psi_coeff[0]
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+ Psi_coeff[1]*tlin
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+ Psi_coeff[2]*tquad
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+ Psi_coeff[3]*tinv
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+ Psi_coeff[4]*tln;
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m_Psi_ijk_L[n] = Psi_coeff[1]
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+ Psi_coeff[2]*twoT
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- Psi_coeff[3]*invT2
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+ Psi_coeff[4]*invT;
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m_Psi_ijk_L[n] = Psi_coeff[1]
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+ Psi_coeff[2]*twoT
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- Psi_coeff[3]*invT2
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+ Psi_coeff[4]*invT;
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m_Psi_ijk_LL[n] =
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Psi_coeff[2]*2.0
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+ Psi_coeff[3]*twoinvT3
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- Psi_coeff[4]*invT2;
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}
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}
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}
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m_Psi_ijk_LL[n] =
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Psi_coeff[2]*2.0
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+ Psi_coeff[3]*twoinvT3
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- Psi_coeff[4]*invT2;
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}
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}
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}
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break;
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}
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}
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