Commit a608f4fc authored by Giovanni La Mura's avatar Giovanni La Mura
Browse files

Merge branch 'clu_subs_offload' into 'master' 

Add parser for INCLUSION

See merge request giacomo.mulas/np_tmcode!103
parents e39cb1e4 6317b748

src/cluster/cluster.cpp

+1 −43
Original line number Diff line number Diff line
@@ -287,51 +287,9 @@ void cluster(const string& config_file, const string& data_file, const string& o 
	p_output->vec_vk[0] = cid->vk;

      }



      // do the first iteration on jxi488 separately, since it seems to be different from the others

      // not anymore, now this iteration is at the same level as others

      int jxi488;

      int initialmaxrefiters = cid->maxrefiters;

      //chrono::time_point<chrono::high_resolution_clock> start_iter_1 = chrono::high_resolution_clock::now();

// #ifdef USE_NVTX

//       nvtxRangePush("First iteration");

// #endif

      // use these pragmas, which should have no effect on parallelism, just to push OMP nested levels at the same level also in the first wavelength iteration

      int jer = 0;

// #pragma omp parallel

//       {

// #pragma omp single

// 	{

// 	  jer = cluster_jxi488_cycle(jxi488, sconf, gconf, p_scattering_angles, cid, p_output, output_path, vtppoanp);

// 	} // OMP single

//       } // OMP parallel

// #ifdef USE_NVTX

//       nvtxRangePop();

// #endif

      //chrono::time_point<chrono::high_resolution_clock> end_iter_1 = chrono::high_resolution_clock::now();

      //elapsed = start_iter_1 - t_start;

      // string message = "INFO: Calculation setup took " + to_string(elapsed.count()) + "s.\n";

      // logger->log(message);

      // time_logger->log(message);

      // elapsed = end_iter_1 - start_iter_1;

      // message = "INFO: First iteration took " + to_string(elapsed.count()) + "s.\n";

      // logger->log(message);

      // time_logger->log(message);

      /* for the next iterations, just always do maxiter iterations, assuming the accuracy is good enough */

      // cid->refinemode = 0;

      /* add an extra iteration for margin, if this does not exceed initialmaxrefiters */

      // if (cid->maxrefiters < initialmaxrefiters) cid->maxrefiters++;

      // if (jer != 0) {

      // 	// First loop failed. Halt the calculation.

      // 	fclose(timing_file);

      // 	delete time_logger;

      // 	delete p_output;

      // 	delete p_scattering_angles;

      // 	delete cid;

      // 	delete logger;

      // 	delete sconf;

      // 	delete gconf;

      // 	return;

      // }



      //==================================================

      // do the first outputs here, so that I open here the new files, afterwards I only append
@@ -683,9 +641,9 @@ void cluster(const string& config_file, const string& data_file, const string& o 
    logger->log("INFO: Process " + to_string(mpidata->rank) + " finalizes MAGMA.\n");

    magma_finalize();

#endif

    delete logger;

#ifdef MPI_VERSION

  }

  delete logger;

#endif

}

src/include/clu_subs.h

+2 −1
Original line number Diff line number Diff line
@@ -79,8 +79,9 @@ void apcra( 
 * \param jf: `int`

 * \param k: `int`

 * \param nj: `int`

 * \param istep: `np_int` Size of rows in the matrix.

 */

dcomplex cdtp(dcomplex z, dcomplex **am, int i, int jf, int k, int nj);

dcomplex cdtp(dcomplex z, dcomplex *vec_am, int i, int jf, int k, int nj, np_int istep);



/*! \brief C++ porting of CGEV. QUESTION: description?

 *

src/inclusion/inclusion.cpp

+1 −44
Original line number Diff line number Diff line
@@ -277,51 +277,9 @@ void inclusion(const string& config_file, const string& data_file, const string& 
	p_output->vec_vk[0] = cid->vk;

      }

      

      // do the first iteration on jxi488 separately, since it seems to be different from the others

      int jxi488;

      int initialmaxrefiters = cid->maxrefiters;

      

//       chrono::time_point<chrono::high_resolution_clock> start_iter_1 = chrono::high_resolution_clock::now();

// #ifdef USE_NVTX

//       nvtxRangePush("First iteration");

// #endif

      // use these pragmas, which should have no effect on parallelism, just to push OMP nested levels at the same level also in the first wavelength iteration

      int jer = 0;

// #pragma omp parallel

//       {

// #pragma omp single

// 	{

// 	  jer = inclusion_jxi488_cycle(jxi488, sconf, gconf, p_scattering_angles, cid, p_output, output_path, vtppoanp);

// 	}

//       }

// #ifdef USE_NVTX

//       nvtxRangePop();

// #endif

//       chrono::time_point<chrono::high_resolution_clock> end_iter_1 = chrono::high_resolution_clock::now();

//       elapsed = start_iter_1 - t_start;

//       string message = "INFO: Calculation setup took " + to_string(elapsed.count()) + "s.\n";

//       logger->log(message);

//       time_logger->log(message);

//       elapsed = end_iter_1 - start_iter_1;

//       message = "INFO: First iteration took " + to_string(elapsed.count()) + "s.\n";

//       logger->log(message);

//       time_logger->log(message);

      /* for the next iterations, just always do maxiter iterations, assuming the accuracy is good enough */

      // cid->refinemode = 0;

      // /* add an extra iteration for margin, if this does not exceed initialmaxrefiters */

      // // if (cid->maxrefiters < initialmaxrefiters) cid->maxrefiters++;

      // if (jer != 0) {

      // 	// First loop failed. Halt the calculation.

      // 	fclose(timing_file);

      // 	delete time_logger;

      // 	delete p_output;

      // 	delete p_scattering_angles;

      // 	delete cid;

      // 	delete logger;

      // 	delete sconf;

      // 	delete gconf;

      // 	return;

      // }



      //==================================================

      // do the first outputs here, so that I open here the new files, afterwards I only append
@@ -536,7 +494,6 @@ void inclusion(const string& config_file, const string& data_file, const string& 
    time_logger->log(message);

    fclose(timing_file);

    delete time_logger;

    delete logger;

  } // end instructions block of MPI process 0

  

    //===============================
@@ -666,10 +623,10 @@ void inclusion(const string& config_file, const string& data_file, const string& 
    logger->log("INFO: Process " + to_string(mpidata->rank) + " finalizes MAGMA.\n");

    magma_finalize();

#endif

    delete logger;

#ifdef MPI_VERSION

  }

#endif

  delete logger;

}



int inclusion_jxi488_cycle(int jxi488, ScattererConfiguration *sconf, GeometryConfiguration *gconf, ScatteringAngles *sa, InclusionIterationData *cid, InclusionOutputInfo *output, const string& output_path, VirtualBinaryFile *vtppoanp) {

src/libnptm/Configuration.cpp

+8 −18
Original line number Diff line number Diff line
@@ -347,8 +347,8 @@ GeometryConfiguration* GeometryConfiguration::from_legacy(const std::string& fil 
	conf->_refine_flag = refine_flag;

      }

    }

    if (str_target.size() > 14) {

      if (str_target.substr(0, 14).compare("USE_DYN_ORDER=") == 0) {

    if (str_target.size() > 15) {

      if (str_target.substr(0, 15).compare("USE_DYN_ORDERS=") == 0) {

	regex_search(str_target, m, re);

	short dyn_order_flag = (short)stoi(m.str());

	conf->_dyn_order_flag = dyn_order_flag;
@@ -362,21 +362,11 @@ GeometryConfiguration* GeometryConfiguration::from_legacy(const std::string& fil 
}



ScattererConfiguration::ScattererConfiguration(

					       int nsph,

					       int configs, 

					       double *scale_vector,

					       int nxi,

					       const std::string& variable_name,

					       int *iog_vector,

					       double *ros_vector,

					       int *nshl_vector,

					       double **rcf_vector,

					       int dielectric_func_type,

					       dcomplex ***dc_matrix,

					       bool is_external,

					       double ex,

					       double w,

					       double x

  int nsph, int configs, double *scale_vector, int nxi,

  const std::string& variable_name, int *iog_vector,

  double *ros_vector, int *nshl_vector, double **rcf_vector,

  int dielectric_func_type, dcomplex ***dc_matrix, bool is_external,

  double ex, double w, double x

) {

  _number_of_spheres = nsph;

  _configurations = configs;

src/libnptm/algebraic.cpp

+1 −1
Original line number Diff line number Diff line
@@ -86,6 +86,6 @@ void invert_matrix(dcomplex **mat, np_int size, int &ier, int &maxrefiters, doub 
  zinvert(mat, size, ier);

#endif

#else

  lucin(mat, max_size, size, ier);

  lucin(mat, size, size, ier);

#endif

}