ABACUS/src/EXECS/LiebLin_Data_Daemon.cc

/**********************************************************

This software is part of J.-S. Caux's ABACUS library.

Copyright (c) J.-S. Caux.

-----------------------------------------------------------

File:  LiebLin_Data_Daemon.cc

Purpose:  Produces sets of data files for correlations.

***********************************************************/

#include <omp.h>
#include "ABACUS.h"

using namespace std;
using namespace ABACUS;


int main(int argc, char* argv[])
{

  if (argc != 11) { // provide some info

    cout << endl << "Welcome to ABACUS\t(copyright J.-S. Caux)." << endl;
    cout << endl << "Usage of LiebLin_Data_Daemon executable: " << endl;
    cout << endl << "Provide the following arguments:" << endl << endl;
    cout << "char whichDSF \t\t Which structure factor should be calculated ?  Options are:  "
      "d for rho rho, g for psi psi{dagger}, o for psi{dagger} psi" << endl;
    cout << "DP c_int_max \t\t Largest value of the interaction parameter:  use positive real values only" << endl;
    cout << "int Nc \t\t number of steps in interaction value" << endl;
    cout << "int cfact \t\t dividing factor (each new interaction value if 1/cfact times the previous)" << endl;
    cout << "DP L \t\t\t Length of the system:  use positive real values only" << endl;
    cout << "int N \t\t\t Number of particles:  use positive integer values only" << endl;
    cout << "int iKmin" << endl << "int iKmax \t\t Min and max momentum integers to scan over:  "
      "recommended values:  -2*N and 2*N" << endl;
    cout << "DP kBT \t\t Temperature (positive only of course)" << endl;
    cout << "int Max_Hrs \t\t Allowed computational time:  (in hours)" << endl;
  }

  else { // (argc == 10), correct nr of arguments
    int ia = 1;
    char whichDSF = *argv[ia++];
    DP c_int_max = atof(argv[ia++]);
    int Nc = atoi(argv[ia++]);
    int cfact = atoi(argv[ia++]);
    DP L = atof(argv[ia++]);
    int N = atoi(argv[ia++]);
    int iKmin = atoi(argv[ia++]);
    int iKmax = atoi(argv[ia++]);
    DP kBT = atof(argv[ia++]);
    int Max_Hrs = atoi(argv[ia++]);

    // Individual computations are split into chuncks of Max_Hrs/(Nc * 4)
    int Max_Secs = (Max_Hrs * 2700)/Nc; // to minimize wrapping up & restarting time

    cout << "Data daemon will use chunks of " << Max_Secs << " seconds." << endl;

    double StartTime = omp_get_wtime();

    double ActualTime = omp_get_wtime();

    DP c_int;
    DP target_sumrule = 1.0;

    while (ActualTime - StartTime < double(3600 * Max_Hrs - Max_Secs)) {

      Vect<DP> srsat(0.0, Nc);
      Vect<bool> refine(false, Nc);
      DP srmin = 1.0;
      int icmin = 0;

      // Determine which correlation has the worst sum rule:
      for (int ic = 0; ic < Nc; ++ic) {
	c_int = c_int_max/pow(cfact, ic);
	stringstream SRC_stringstream;  string SRC_string;
	Data_File_Name (SRC_stringstream, whichDSF, c_int, L, N, iKmin, iKmax, kBT, 0.0, "");
	SRC_stringstream << ".src";
	SRC_string = SRC_stringstream.str();    const char* SRC_Cstr = SRC_string.c_str();

	fstream srcfile;
	srcfile.open(SRC_Cstr, fstream::in);
	if (srcfile.fail()) {
	  srsat[ic] = 0.0;
	  refine[ic] = false;
	}
	else {
	  srcfile >> srsat[ic];
	  refine[ic] = true;
	}
	if (srsat[ic] < srmin) {
	  srmin = srsat[ic];
	  icmin = ic;
	}
	srcfile.close();

      } // for ic

      cout << "srsat min found: " << srmin << "\t for c = " << c_int_max/pow(cfact, icmin) << ". Now refining this."
	   << " Time left: " << 3600* Max_Hrs - (ActualTime - StartTime) << " seconds." << endl;

      // Improve the icmin calculation by one chunk:
      Scan_LiebLin (whichDSF, c_int_max/pow(cfact, icmin), L, N, iKmin, iKmax, kBT, Max_Secs,
		    target_sumrule, refine[icmin]);

      ActualTime = omp_get_wtime();

    } // while there is time

    cout << "Wrapping up, time's up." << endl;

  } // else if arguments given OK

  return(0);
}