Merge pull request #1212 from su2code/small_fixes

Small fixes

Author: pcarruscag

SU2_CFD/include/fluid/CMutationTCLib.hpp

@@ -45,8 +45,7 @@ class CMutationTCLib : public CNEMOGas {
 
   vector<su2double> Cv_ks,                /*!< \brief Species specific heats at constant volume. */
   es,                                     /*!< \brief Species energies. */
-  omega_vec,                              /*!< \brief Dummy vector for vibrational energy source term. */
-  h_RT;                                   /*!< \brief Enthalpy divided by R*T. */
+  omega_vec;                              /*!< \brief Dummy vector for vibrational energy source term. */
 
   su2double Tref;                         /*!< \brief Reference temperature. */
 

SU2_CFD/src/fluid/CMutationTCLib.cpp

@@ -36,7 +36,6 @@ CMutationTCLib::CMutationTCLib(const CConfig* config, unsigned short val_nDim):
 
   /* Allocating memory*/
   Cv_ks.resize(nEnergyEq*nSpecies,0.0);
-  h_RT.resize(nSpecies,0.0);
   es.resize(nEnergyEq*nSpecies,0.0);
   omega_vec.resize(1,0.0);
 
@@ -148,12 +147,7 @@ su2double CMutationTCLib::ComputeEveSourceTerm(){
 
 vector<su2double>& CMutationTCLib::ComputeSpeciesEnthalpy(su2double val_T, su2double val_Tve, su2double *val_eves){
 
-  su2double RuSI = UNIVERSAL_GAS_CONSTANT;
-  su2double Ru   = 1000.0*RuSI;
-
-  mix->speciesHOverRT(val_T, val_Tve, val_T, val_Tve, val_Tve, h_RT.data(), NULL, NULL, NULL, NULL, NULL);
-
-  for (iSpecies = 0; iSpecies < nSpecies; iSpecies++) hs[iSpecies] = h_RT[iSpecies]*(RuSI*val_T); 
+  mix->getEnthalpiesMass(hs.data());
 
   return hs;
 }
@@ -213,7 +207,7 @@ vector<su2double>& CMutationTCLib::GetSpeciesFormationEnthalpy() {
 
    mix->speciesHOverRT(Tref, Tref, Tref, Tref, Tref, NULL, NULL, NULL, NULL, NULL, hf_RT.data());
 
-   for (iSpecies = 0; iSpecies < nSpecies; iSpecies++) Enthalpy_Formation[iSpecies] = hf_RT[iSpecies]*(RuSI*Tref);
+   for (iSpecies = 0; iSpecies < nSpecies; iSpecies++) Enthalpy_Formation[iSpecies] = hf_RT[iSpecies]*(RuSI*Tref*1000.0)/MolarMass[iSpecies];
 
    return Enthalpy_Formation;  
 }

SU2_CFD/src/numerics/NEMO/NEMO_sources.cpp

@@ -376,7 +376,7 @@ CNumerics::ResidualType<> CSource_NEMO::ComputeAxisymmetric(const CConfig *confi
                                                      +v*TWO3*(2*PrimVar_Grad_i[nSpecies+2][1]-PrimVar_Grad_i[nSpecies+2][0]
                                                      -v*yinv+rho*turb_ke_i))
                                                      -total_conductivity_i*PrimVar_Grad_i[nSpecies][1])
-                                                     -TWO3*(AuxVar_Grad_i[1][1]+AuxVar_Grad_i[2][1]));
+                                                     -TWO3*(AuxVar_Grad_i[1][1]+AuxVar_Grad_i[2][0]));
     residual[nSpecies+3] -= Volume*(yinv*(sumJeve_y -qy_ve));
   }
 

SU2_CFD/src/output/COutput.cpp

@@ -912,34 +912,9 @@ bool COutput::Convergence_Monitoring(CConfig *config, unsigned long Iteration) {
 
   /*--- Apply the same convergence criteria to all the processors ---*/
 
-#ifdef HAVE_MPI
-
-  unsigned short *sbuf_conv = NULL, *rbuf_conv = NULL;
-  sbuf_conv = new unsigned short[1]; sbuf_conv[0] = 0;
-  rbuf_conv = new unsigned short[1]; rbuf_conv[0] = 0;
-
-  /*--- Convergence criteria ---*/
-
-  sbuf_conv[0] = convergence;
-  SU2_MPI::Reduce(sbuf_conv, rbuf_conv, 1, MPI_UNSIGNED_SHORT, MPI_SUM, MASTER_NODE, SU2_MPI::GetComm());
-
-  /*-- Compute global convergence criteria in the master node --*/
-
-  sbuf_conv[0] = 0;
-  if (rank == MASTER_NODE) {
-    if (rbuf_conv[0] == size) sbuf_conv[0] = 1;
-    else sbuf_conv[0] = 0;
-  }
-
-  SU2_MPI::Bcast(sbuf_conv, 1, MPI_UNSIGNED_SHORT, MASTER_NODE, SU2_MPI::GetComm());
-
-  if (sbuf_conv[0] == 1) { convergence = true; }
-  else { convergence = false;  }
-
-  delete [] sbuf_conv;
-  delete [] rbuf_conv;
-
-#endif
+  unsigned short local = convergence, global = 0;
+  SU2_MPI::Allreduce(&local, &global, 1, MPI_UNSIGNED_SHORT, MPI_MAX, SU2_MPI::GetComm());
+  convergence = global > 0;
 
   return convergence;
 }
@@ -1149,49 +1124,49 @@ void COutput::SetScreen_Output(CConfig *config) {
 
 void COutput::PreprocessHistoryOutput(CConfig *config, bool wrt){
 
-    noWriting = !wrt;
-
-    /*--- Set the common output fields ---*/
+  noWriting = !wrt;
 
-    SetCommonHistoryFields(config);
+  /*--- Set the common output fields ---*/
 
-    /*--- Set the History output fields using a virtual function call to the child implementation ---*/
+  SetCommonHistoryFields(config);
 
-    SetHistoryOutputFields(config);
+  /*--- Set the History output fields using a virtual function call to the child implementation ---*/
 
-    /*--- Postprocess the history fields. Creates new fields based on the ones set in the child classes ---*/
+  SetHistoryOutputFields(config);
 
-    Postprocess_HistoryFields(config);
+  /*--- Postprocess the history fields. Creates new fields based on the ones set in the child classes ---*/
 
-    /*--- We use a fixed size of the file output summary table ---*/
+  Postprocess_HistoryFields(config);
 
-    int total_width = 72;
-    fileWritingTable->AddColumn("File Writing Summary", (total_width)/2-1);
-    fileWritingTable->AddColumn("Filename", total_width/2-1);
-    fileWritingTable->SetAlign(PrintingToolbox::CTablePrinter::LEFT);
+  /*--- We use a fixed size of the file output summary table ---*/
 
-    /*--- Check for consistency and remove fields that are requested but not available --- */
+  int total_width = 72;
+  fileWritingTable->AddColumn("File Writing Summary", (total_width)/2-1);
+  fileWritingTable->AddColumn("Filename", total_width/2-1);
+  fileWritingTable->SetAlign(PrintingToolbox::CTablePrinter::LEFT);
 
-    CheckHistoryOutput();
+  /*--- Check for consistency and remove fields that are requested but not available --- */
 
-    if (rank == MASTER_NODE && !noWriting){
+  CheckHistoryOutput();
 
-      /*--- Open history file and print the header ---*/
-      if (!config->GetMultizone_Problem() || config->GetWrt_ZoneHist())
-        PrepareHistoryFile(config);
+  if (rank == MASTER_NODE && !noWriting){
 
-      total_width = nRequestedScreenFields*fieldWidth + (nRequestedScreenFields-1);
+    /*--- Open history file and print the header ---*/
+    if (!config->GetMultizone_Problem() || config->GetWrt_ZoneHist())
+      PrepareHistoryFile(config);
 
-      /*--- Set the multizone screen header ---*/
+    total_width = nRequestedScreenFields*fieldWidth + (nRequestedScreenFields-1);
 
-      if (config->GetMultizone_Problem()){
-        multiZoneHeaderTable->AddColumn(multiZoneHeaderString, total_width);
-        multiZoneHeaderTable->SetAlign(PrintingToolbox::CTablePrinter::CENTER);
-        multiZoneHeaderTable->SetPrintHeaderBottomLine(false);
-      }
+    /*--- Set the multizone screen header ---*/
 
+    if (config->GetMultizone_Problem()){
+      multiZoneHeaderTable->AddColumn(multiZoneHeaderString, total_width);
+      multiZoneHeaderTable->SetAlign(PrintingToolbox::CTablePrinter::CENTER);
+      multiZoneHeaderTable->SetPrintHeaderBottomLine(false);
     }
 
+  }
+
 }
 
 void COutput::PreprocessMultizoneHistoryOutput(COutput **output, CConfig **config, CConfig* driver_config, bool wrt){

preconfigure.py

@@ -289,7 +289,7 @@ def init_codi(argument_dict, modes, mpi_support = False, update = False):
     # The sha tag must be maintained manually to point to the correct commit
     sha_version_codi = '1b8d3f5f03de560fb63a2a76ad91ab7bb3fa67d8'
     github_repo_codi = 'https://github.com/scicompkl/CoDiPack'
-    sha_version_medi = 'b84cef4272ab8bad981c0d0386d855daa8fbd340'
+    sha_version_medi = '6aef76912e7099c4f08c9705848797ca9e8070da'
     github_repo_medi = 'https://github.com/SciCompKL/MeDiPack'
 
     medi_name = 'MeDiPack'