118 lines
3.8 KiB
C++
118 lines
3.8 KiB
C++
/**********************************************************
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This software is part of J.-S. Caux's ABACUS library.
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Copyright (c) J.-S. Caux.
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-----------------------------------------------------------
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File: LiebLin_Data_Daemon.cc
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Purpose: Produces sets of data files for correlations.
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***********************************************************/
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#include <omp.h>
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#include "ABACUS.h"
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using namespace std;
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using namespace ABACUS;
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int main(int argc, char* argv[])
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{
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if (argc != 11) { // provide some info
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cout << endl << "Welcome to ABACUS\t(copyright J.-S. Caux)." << endl;
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cout << endl << "Usage of LiebLin_Data_Daemon executable: " << endl;
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cout << endl << "Provide the following arguments:" << endl << endl;
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cout << "char whichDSF \t\t Which structure factor should be calculated ? Options are: "
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"d for rho rho, g for psi psi{dagger}, o for psi{dagger} psi" << endl;
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cout << "DP c_int_max \t\t Largest value of the interaction parameter: use positive real values only" << endl;
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cout << "int Nc \t\t number of steps in interaction value" << endl;
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cout << "int cfact \t\t dividing factor (each new interaction value if 1/cfact times the previous)" << endl;
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cout << "DP L \t\t\t Length of the system: use positive real values only" << endl;
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cout << "int N \t\t\t Number of particles: use positive integer values only" << endl;
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cout << "int iKmin" << endl << "int iKmax \t\t Min and max momentum integers to scan over: "
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"recommended values: -2*N and 2*N" << endl;
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cout << "DP kBT \t\t Temperature (positive only of course)" << endl;
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cout << "int Max_Hrs \t\t Allowed computational time: (in hours)" << endl;
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}
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else { // (argc == 10), correct nr of arguments
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int ia = 1;
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char whichDSF = *argv[ia++];
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DP c_int_max = atof(argv[ia++]);
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int Nc = atoi(argv[ia++]);
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int cfact = atoi(argv[ia++]);
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DP L = atof(argv[ia++]);
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int N = atoi(argv[ia++]);
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int iKmin = atoi(argv[ia++]);
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int iKmax = atoi(argv[ia++]);
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DP kBT = atof(argv[ia++]);
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int Max_Hrs = atoi(argv[ia++]);
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// Individual computations are split into chuncks of Max_Hrs/(Nc * 4)
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int Max_Secs = (Max_Hrs * 2700)/Nc; // to minimize wrapping up & restarting time
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cout << "Data daemon will use chunks of " << Max_Secs << " seconds." << endl;
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double StartTime = omp_get_wtime();
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double ActualTime = omp_get_wtime();
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DP c_int;
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DP target_sumrule = 1.0;
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while (ActualTime - StartTime < double(3600 * Max_Hrs - Max_Secs)) {
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Vect<DP> srsat(0.0, Nc);
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Vect<bool> refine(false, Nc);
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DP srmin = 1.0;
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int icmin = 0;
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// Determine which correlation has the worst sum rule:
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for (int ic = 0; ic < Nc; ++ic) {
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c_int = c_int_max/pow(cfact, ic);
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stringstream SRC_stringstream; string SRC_string;
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Data_File_Name (SRC_stringstream, whichDSF, c_int, L, N, iKmin, iKmax, kBT, 0.0, "");
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SRC_stringstream << ".src";
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SRC_string = SRC_stringstream.str(); const char* SRC_Cstr = SRC_string.c_str();
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fstream srcfile;
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srcfile.open(SRC_Cstr, fstream::in);
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if (srcfile.fail()) {
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srsat[ic] = 0.0;
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refine[ic] = false;
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}
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else {
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srcfile >> srsat[ic];
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refine[ic] = true;
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}
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if (srsat[ic] < srmin) {
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srmin = srsat[ic];
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icmin = ic;
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}
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srcfile.close();
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} // for ic
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cout << "srsat min found: " << srmin << "\t for c = " << c_int_max/pow(cfact, icmin) << ". Now refining this."
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<< " Time left: " << 3600* Max_Hrs - (ActualTime - StartTime) << " seconds." << endl;
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// Improve the icmin calculation by one chunk:
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Scan_LiebLin (whichDSF, c_int_max/pow(cfact, icmin), L, N, iKmin, iKmax, kBT, Max_Secs,
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target_sumrule, refine[icmin]);
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ActualTime = omp_get_wtime();
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} // while there is time
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cout << "Wrapping up, time's up." << endl;
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} // else if arguments given OK
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return(0);
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}
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