ABACUS/src/EXECS/LiebLin_Catalogue_Fixed_c_k...

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

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

Copyright (c) J.-S. Caux.

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

File:  LiebLin_Catalogue_Fixed_c_k_Nscaling.cc

Purpose:  Produces sets of data files for correlations, increasing system size at fixed c and momentum.

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

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

using namespace std;
using namespace ABACUS;


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

  if (argc != 8) { // provide some info

    cout << endl << "Welcome to ABACUS\t(copyright J.-S. Caux)." << endl;
    cout << endl << "Usage of LiebLin_Catalogue_Fixed_c_k_Nscaling 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 \t\t Value of the interaction parameter:  use positive real values only" << endl;
    cout << "int kfact \t\t momentum factor: momentum will be set to kfact * kF/4" << endl;
    cout << "DP kBT \t\t Temperature (positive only of course)" << endl;
    cout << "DP target_sumrule \t sumrule saturation you're satisfied with" << endl;
    cout << "int Hrs \t\t Allowed computational time (hours)" << endl;
    cout << "int Mns \t\t Allowed computational time (minutes)" << endl;
  }

  else { // correct nr of arguments
    int ia = 1;
    char whichDSF = *argv[ia++];
    DP c_int = atof(argv[ia++]);
    int kfact = atoi(argv[ia++]);
    DP kBT = atof(argv[ia++]);
    DP target_sumrule = atof(argv[ia++]);
    int Max_Secs = 3600*atoi(argv[ia++]) + 60*atoi(argv[ia++]);

    double StartTime = omp_get_wtime();

    double ActualTime = omp_get_wtime();

    int Secs_left = Max_Secs;

    int iN = 0;

    int nN = 16;
    Vect<int> Nv(nN);
    // Multiples of 32 up to 256
    for (int i = 1; i <= 8; ++i) Nv[i-1] = 32*i;
    // Then steps of 64 up to 512
    for (int i = 1; i <= 4; ++i) Nv[7+i] = 256 + 64*i;
    // Then steps of 128 up to 1024
    for (int i = 1; i <= 4; ++i) Nv[11+i] = 512 + 128*i;

    for (int iN = 0; iN < nN; ++iN) {

      int N = Nv[iN];
      DP L = N;
      int iKmin = (kfact * N)/8;
      int iKmax = iKmin;
      DP srsat = 0.0;
      bool refine = false;

      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 = 0.0;
	refine = false;
      }
      else {
	srcfile >> srsat;
	refine = true;
      }
      srcfile.close();

      ActualTime = omp_get_wtime();
      Secs_left = int(Max_Secs - (ActualTime - StartTime));

      Scan_Info resulting_info;
      if (srsat < target_sumrule && Secs_left > Max_Secs/2) {
	// Improve the icmin calculation by one chunk:
	cout << "---\nTime left = " << Secs_left << " seconds." << endl;
	if (srsat > 0) {
	  cout << "Continue with N = " << N << ". Sumrule previously achieved: " << srsat << endl;
	} else {
	  cout << "Start with N = " << N << "." << endl;
	}
	resulting_info = Scan_LiebLin (whichDSF, c_int, L, N, iKmin, iKmax, kBT,
				       Secs_left, target_sumrule, refine);
	cout << "Done with N = " << N
	     << ". Sumrule obtained: " << resulting_info.sumrule_obtained
	     << endl;
      }

      if (resulting_info.sumrule_obtained > target_sumrule) {
	// Move files to storage, keeping a copy of the .src file in the current directory
	string command1 = "mkdir -p ../store/data/N_" + to_string(N);
	system(command1.c_str());
	string command2 = "mv *_N_" + to_string(N) + "* ../store/data/N_" + to_string(N) + "/";
	system(command2.c_str());
	string command3 = "cp ../store/data/N_" + to_string(N) + "/*src .";
	system(command3.c_str());
      }

      ActualTime = omp_get_wtime();

      Secs_left = int(Max_Secs - (ActualTime - StartTime));

      if (Secs_left < 30) {
	if (resulting_info.sumrule_obtained > target_sumrule) {
	  cout << "---\nBreaking out after completing N = " << N
	       << " since time left = " << Secs_left << " seconds." << endl;
	}
	else {
	  cout << "---\nBreaking out while working on N = " << N
	       << " since allocated time is exhausted." << endl;
	}
	break;
      }

    } // while there is time

  } // else if arguments given OK

  return(0);
}