ABACUS/src/EXECS/Heis_DSF_par_Run.cc

127 satır
4.5 KiB
C++

/**********************************************************
This software is part of J.-S. Caux's ABACUS library.
Copyright (c) J.-S. Caux.
-----------------------------------------------------------
File: Heis_DSF_par_Run.cc
Purpose: Parallel version of ABACUS using MPICH.
***********************************************************/
#include "ABACUS.h"
#include "mpi.h"
using namespace std;
using namespace ABACUS;
int main(int argc, char *argv[])
{
char whichDSF;
DP Delta;
int N, M, iKmin, iKmax, Max_Secs, supercycle_time, paralevel;
DP target_sumrule = 1.0e+6; // effectively deactivated here
bool refine = true; // always true for parallel mode
if (argc < 10) { // provide some info
cout << endl << "Welcome to ABACUS\t(copyright J.-S. Caux)." << endl;
cout << endl << "Usage of Heis_DSF_par_Run executable: " << endl;
cout << endl << "This function runs ABACUS in parallel mode, starting from a preexisting "
"serial run (obtained using the Heis_DSF executable) using the same model parameters." << endl;
cout << endl << "Provide the following arguments:" << endl << endl;
cout << "char whichDSF \t\t Which structure factor should be calculated ? Options are: "
"m for S- S+, z for Sz Sz, p for S+ S-." << endl;
cout << "DP Delta \t\t Value of the anisotropy: use positive real values only" << endl;
cout << "int N \t\t\t Length (number of sites) of the system: use positive even integer values only" << endl;
cout << "int M \t\t\t Number of down spins: use positive integer values between 1 and N/2" << endl;
cout << "int iKmin" << endl << "int iKmax \t\t Min and max momentum integers to scan over: "
"recommended values: 0 and N" << endl;
cout << "int paralevel" << endl;
cout << "rank[i], nr_processors[i] \t rank and nr_processors of each earlier paralevels." << endl;
cout << "int Max_Secs \t\t Allowed computational time: (in seconds)" << endl;
cout << "int supercycle_time \t\t time for one supercycle (in seconds)" << endl;
cout << endl << "EXAMPLE: " << endl << endl;
cout << "mpiexec -np 8 Heis_DSF_par_Run z 1 128 64 0 128 [**UPDATE]" << endl << endl;
return(0);
}
//else { // (argc == 9) correct nr of arguments
int n = 1;
whichDSF = *argv[n++];
Delta = atof(argv[n++]);
N = atoi(argv[n++]);
M = atoi(argv[n++]);
iKmin = atoi(argv[n++]);
iKmax = atoi(argv[n++]);
paralevel = atoi(argv[n++]); // paralevel == 1 means that we have one layer of parallelization, so no previous rank and nr_processors to specify
if (argc != 10 + 2*(paralevel - 1)) ABACUSerror("Wrong nr of arguments in Heis_DSF_par_Run.");
Vect<int> rank_lower_paralevels(paralevel - 1);
Vect<int> nr_processors_lower_paralevels(paralevel - 1);
for (int i = 0; i < paralevel - 1; ++i) {
rank_lower_paralevels[i] = atoi(argv[n++]);
nr_processors_lower_paralevels[i] = atoi(argv[n++]);
}
Max_Secs = atoi(argv[n++]);
supercycle_time = atoi(argv[n++]);
if (Max_Secs <= supercycle_time) ABACUSerror("Please allow more time in Heis_DSF_par_Run.");
MPI::Init(argc, argv);
DP tstart = MPI::Wtime();
int rank_here = MPI::COMM_WORLD.Get_rank();
int nr_processors_here = MPI::COMM_WORLD.Get_size();
Vect<int> rank (paralevel);
Vect<int> nr_processors (paralevel);
for (int i = 0; i < paralevel - 1; ++i) {
rank[i] = rank_lower_paralevels[i];
nr_processors[i] = nr_processors_lower_paralevels[i];
}
rank[paralevel-1] = rank_here;
nr_processors[paralevel-1] = nr_processors_here;
if (nr_processors_here < 2) ABACUSerror("Give at least 2 processors to ABACUS parallel !");
refine = true;
// ASSUMPTION: preexisting files (raw, thr, ...) exist for the run.
DP tnow = MPI::Wtime();
string defaultScanStatename = "";
while (tnow - tstart < Max_Secs - supercycle_time - 120) { // space for one more supercycle, + 2 minutes safety
// Barrier synchronization, to make sure other processes wait for process of rank 0
// to have finished splitting up the thr file into pieces before starting:
MPI_Barrier (MPI::COMM_WORLD);
// then everybody gets going on their own chunk !
Scan_Heis (whichDSF, Delta, N, M, iKmin, iKmax,
supercycle_time, target_sumrule, refine, paralevel, rank, nr_processors);
// Another barrier synchronization
MPI_Barrier (MPI::COMM_WORLD);
// Now that everybody is done, digest data into unique files
// Another barrier synchronization
MPI_Barrier (MPI::COMM_WORLD);
tnow = MPI::Wtime();
} // while (tnow - tstart...
MPI::Finalize();
return(0);
}