122 righe
4.1 KiB
C++
122 righe
4.1 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_DSF_par_Run.cc
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Purpose: Parallel version of ABACUS using MPICH.
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***********************************************************/
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#include "ABACUS.h"
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#include "mpi.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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char whichDSF;
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DP c_int, L, kBT;
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int N, iKmin, iKmax, Max_Secs, paralevel;
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DP target_sumrule = 1.0e+6; // effectively deactivated here
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bool refine = true; // always true for parallel mode
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if (argc < 10) { // 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_DSF_par_Run executable: " << endl;
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cout << endl << "This function runs ABACUS in parallel mode, starting from a preexisting "
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"serial run (obtained using the LiebLin_DSF executable) using the same model parameters." << 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 \t\t Value of the interaction parameter: use positive real values only" << 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 paralevel" << endl;
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cout << "rank[i], nr_processors[i] \t rank and nr_processors of each earlier paralevels." << endl;
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cout << "int Max_Secs \t\t Allowed computational time: (in seconds)" << endl;
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cout << endl << "EXAMPLE: " << endl << endl;
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cout << "mpiexec -np 8 LiebLin_DSF_par_Run d 1.0 100.0 100 0 400 0.0 1 3600" << endl << endl;
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return(0);
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}
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int n = 1;
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whichDSF = *argv[n++];
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c_int = atof(argv[n++]);
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L = atof(argv[n++]);
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N = atoi(argv[n++]);
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iKmin = atoi(argv[n++]);
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iKmax = atoi(argv[n++]);
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kBT = atof(argv[n++]);
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paralevel = atoi(argv[n++]); // paralevel == 1 means that we have one layer of parallelization, so no previous rank and nr_processors to specify
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if (argc != 10 + 2*(paralevel - 1)) ABACUSerror("Wrong nr of arguments in LiebLin_DSF_par_Run.");
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Vect<int> rank_lower_paralevels(paralevel - 1);
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Vect<int> nr_processors_lower_paralevels(paralevel - 1);
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for (int i = 0; i < paralevel - 1; ++i) {
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rank_lower_paralevels[i] = atoi(argv[n++]);
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nr_processors_lower_paralevels[i] = atoi(argv[n++]);
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}
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Max_Secs = atoi(argv[n++]);
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if (Max_Secs < 120) ABACUSerror("Please allow more time in LiebLin_DSF_par_Run.");
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int Max_Secs_used = Max_Secs - 120;
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MPI::Init(argc, argv);
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DP tstart = MPI::Wtime();
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int rank_here = MPI::COMM_WORLD.Get_rank();
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int nr_processors_here = MPI::COMM_WORLD.Get_size();
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Vect<int> rank (paralevel);
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Vect<int> nr_processors (paralevel);
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for (int i = 0; i < paralevel - 1; ++i) {
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rank[i] = rank_lower_paralevels[i];
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nr_processors[i] = nr_processors_lower_paralevels[i];
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}
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rank[paralevel-1] = rank_here;
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nr_processors[paralevel-1] = nr_processors_here;
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if (nr_processors_here < 2) ABACUSerror("Give at least 2 processors to ABACUS parallel !");
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refine = true;
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// ASSUMPTION: preexisting files (raw, thr, ...) exist for the run.
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DP tnow = MPI::Wtime();
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string defaultScanStatename = "";
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if (Max_Secs_used > 0) { // space for 2 minutes safety
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// Barrier synchronization
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MPI_Barrier (MPI::COMM_WORLD);
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// then everybody gets going on their own chunk !
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Scan_LiebLin (whichDSF, c_int, L, N, iKmin, iKmax, kBT,
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Max_Secs_used, target_sumrule, refine, paralevel, rank, nr_processors);
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// Another barrier synchronization
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MPI_Barrier (MPI::COMM_WORLD);
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tnow = MPI::Wtime();
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}
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MPI::Finalize();
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return(0);
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}
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