double gauge_acc(const int id, hamiltonian_field_t * const hf) { monomial * mnl = &monomial_list[id]; mnl->energy1 = g_beta*(mnl->c0 * measure_gauge_action(hf->gaugefield)); if(mnl->use_rectangles) { mnl->energy1 += g_beta*(mnl->c1 * measure_rectangles(hf->gaugefield)); } if(g_proc_id == 0 && g_debug_level > 3) { printf("called gauge_acc for id %d %d dH = %1.4e\n", id, mnl->even_odd_flag, mnl->energy0 - mnl->energy1); } return(mnl->energy0 - mnl->energy1); }
void gauge_heatbath(const int id, hamiltonian_field_t * const hf) { monomial * mnl = &monomial_list[id]; if(mnl->use_rectangles) mnl->c0 = 1. - 8.*mnl->c1; mnl->energy0 = g_beta*(mnl->c0 * measure_gauge_action(hf->gaugefield)); if(mnl->use_rectangles) { mnl->energy0 += g_beta*(mnl->c1 * measure_rectangles(hf->gaugefield)); } if(g_proc_id == 0 && g_debug_level > 3) { printf("called gauge_heatbath for id %d %d\n", id, mnl->even_odd_flag); } }
void sf_gauge_heatbath( const int id ) { monomial* mnl = &(monomial_list[id]); if( mnl->use_rectangles ){ mnl->c0 = 1. - 8.*mnl->c1; } mnl->energy0 = g_beta * ( mnl->c0 * measure_gauge_action() ); if(mnl->use_rectangles) { mnl->energy0 += g_beta*(mnl->c1 * measure_rectangles()); } if(g_proc_id == 0 && g_debug_level > 3) { printf("called gauge_heatbath for id %d %d\n", id, mnl->even_odd_flag); } }
double gauge_acc(const int id, hamiltonian_field_t * const hf) { monomial * mnl = &monomial_list[id]; double atime, etime; atime = gettime(); mnl->energy1 = g_beta*(mnl->c0 * measure_gauge_action( (const su3**) hf->gaugefield)); if(mnl->use_rectangles) { mnl->energy1 += g_beta*(mnl->c1 * measure_rectangles( (const su3**) hf->gaugefield)); } etime = gettime(); if(g_proc_id == 0) { if(g_debug_level > 1) { printf("# Time for %s monomial acc step: %e s\n", mnl->name, etime-atime); } if(g_debug_level > 3) { printf("called gauge_acc for id %d dH = %1.10e\n", id, mnl->energy0 - mnl->energy1); } } return(mnl->energy0 - mnl->energy1); }
void gauge_heatbath(const int id, hamiltonian_field_t * const hf) { monomial * mnl = &monomial_list[id]; double atime, etime; atime = gettime(); if(mnl->use_rectangles) mnl->c0 = 1. - 8.*mnl->c1; mnl->energy0 = g_beta*(mnl->c0 * measure_gauge_action( (const su3**) hf->gaugefield)); if(mnl->use_rectangles) { mnl->energy0 += g_beta*(mnl->c1 * measure_rectangles( (const su3**) hf->gaugefield)); } etime = gettime(); if(g_proc_id == 0) { if(g_debug_level > 1) { printf("# Time for %s monomial heatbath: %e s\n", mnl->name, etime-atime); } if(g_debug_level > 3) { printf("called gauge_heatbath for id %d energy %f\n", id, mnl->energy0); } } return; }
int main(int argc,char *argv[]) { FILE *parameterfile=NULL,*rlxdfile=NULL, *countfile=NULL; char * filename = NULL; char datafilename[50]; char parameterfilename[50]; char gauge_filename[50]; char * nstore_filename = ".nstore_counter"; char * input_filename = NULL; int rlxd_state[105]; int j,ix,mu; int k; struct timeval t1; int g_nev, max_iter_ev; double stop_prec_ev; /* Energy corresponding to the Gauge part */ double eneg = 0., plaquette_energy = 0., rectangle_energy = 0.; /* Acceptance rate */ int Rate=0; /* Do we want to perform reversibility checks */ /* See also return_check_flag in read_input.h */ int return_check = 0; /* For getopt */ int c; /* For the Polyakov loop: */ int dir = 2; _Complex double pl, pl4; verbose = 0; g_use_clover_flag = 0; g_nr_of_psf = 1; #ifndef XLC signal(SIGUSR1,&catch_del_sig); signal(SIGUSR2,&catch_del_sig); signal(SIGTERM,&catch_del_sig); signal(SIGXCPU,&catch_del_sig); #endif while ((c = getopt(argc, argv, "h?f:o:")) != -1) { switch (c) { case 'f': input_filename = calloc(200, sizeof(char)); strcpy(input_filename,optarg); break; case 'o': filename = calloc(200, sizeof(char)); strcpy(filename,optarg); break; case 'h': case '?': default: usage(); break; } } if(input_filename == NULL){ input_filename = "hmc.input"; } if(filename == NULL){ filename = "output"; } /* Read the input file */ read_input(input_filename); mpi_init(argc, argv); if(Nsave == 0){ Nsave = 1; } if(nstore == -1) { countfile = fopen(nstore_filename, "r"); if(countfile != NULL) { fscanf(countfile, "%d\n", &nstore); fclose(countfile); } else { nstore = 0; } } if(g_rgi_C1 == 0.) { g_dbw2rand = 0; } #ifndef TM_USE_MPI g_dbw2rand = 0; #endif /* Reorder the mu parameter and the number of iterations */ if(g_mu3 > 0.) { g_mu = g_mu1; g_mu1 = g_mu3; g_mu3 = g_mu; j = int_n[1]; int_n[1] = int_n[3]; int_n[3] = j; j = g_csg_N[0]; g_csg_N[0] = g_csg_N[4]; g_csg_N[4] = j; g_csg_N[6] = j; if(fabs(g_mu3) > 0) { g_csg_N[6] = 0; } g_nr_of_psf = 3; } else if(g_mu2 > 0.) { g_mu = g_mu1; g_mu1 = g_mu2; g_mu2 = g_mu; int_n[3] = int_n[1]; int_n[1] = int_n[2]; int_n[2] = int_n[3]; /* For chronological inverter */ g_csg_N[4] = g_csg_N[0]; g_csg_N[0] = g_csg_N[2]; g_csg_N[2] = g_csg_N[4]; if(fabs(g_mu2) > 0) { g_csg_N[4] = 0; } g_csg_N[6] = 0; g_nr_of_psf = 2; } else { g_csg_N[2] = g_csg_N[0]; if(fabs(g_mu2) > 0) { g_csg_N[2] = 0; } g_csg_N[4] = 0; g_csg_N[6] = 0; } for(j = 0; j < g_nr_of_psf+1; j++) { if(int_n[j] == 0) int_n[j] = 1; } if(g_nr_of_psf == 3) { g_eps_sq_force = g_eps_sq_force1; g_eps_sq_force1 = g_eps_sq_force3; g_eps_sq_force3 = g_eps_sq_force; g_eps_sq_acc = g_eps_sq_acc1; g_eps_sq_acc1 = g_eps_sq_acc3; g_eps_sq_acc3 = g_eps_sq_acc; } if(g_nr_of_psf == 2) { g_eps_sq_force = g_eps_sq_force1; g_eps_sq_force1 = g_eps_sq_force2; g_eps_sq_force2 = g_eps_sq_force; g_eps_sq_acc = g_eps_sq_acc1; g_eps_sq_acc1 = g_eps_sq_acc2; g_eps_sq_acc2 = g_eps_sq_acc; } g_mu = g_mu1; g_eps_sq_acc = g_eps_sq_acc1; g_eps_sq_force = g_eps_sq_force1; #ifdef _GAUGE_COPY j = init_gauge_field(VOLUMEPLUSRAND + g_dbw2rand, 1); #else j = init_gauge_field(VOLUMEPLUSRAND + g_dbw2rand, 0); #endif if ( j!= 0) { fprintf(stderr, "Not enough memory for gauge_fields! Aborting...\n"); exit(0); } j = init_geometry_indices(VOLUMEPLUSRAND + g_dbw2rand); if ( j!= 0) { fprintf(stderr, "Not enough memory for geometry_indices! Aborting...\n"); exit(0); } j = init_spinor_field(VOLUMEPLUSRAND/2, NO_OF_SPINORFIELDS); if ( j!= 0) { fprintf(stderr, "Not enough memory for spinor fields! Aborting...\n"); exit(0); } j = init_bispinor_field(VOLUME/2, NO_OF_SPINORFIELDS); j = init_csg_field(VOLUMEPLUSRAND/2, g_csg_N); if ( j!= 0) { fprintf(stderr, "Not enough memory for csg fields! Aborting...\n"); exit(0); } j = init_moment_field(VOLUME, VOLUMEPLUSRAND); if ( j!= 0) { fprintf(stderr, "Not enough memory for moment fields! Aborting...\n"); exit(0); } zero_spinor_field(g_spinor_field[DUM_DERI+4],VOLUME/2); zero_spinor_field(g_spinor_field[DUM_DERI+5],VOLUME/2); zero_spinor_field(g_spinor_field[DUM_DERI+6],VOLUME/2); if(g_proc_id == 0){ /* fscanf(fp6,"%s",filename); */ /*construct the filenames for the observables and the parameters*/ strcpy(datafilename,filename); strcat(datafilename,".data"); strcpy(parameterfilename,filename); strcat(parameterfilename,".para"); parameterfile=fopen(parameterfilename, "w"); printf("# This is the hmc code for twisted Mass Wilson QCD\n\nVersion %s\n", Version); #ifdef SSE printf("# The code was compiled with SSE instructions\n"); #endif #ifdef SSE2 printf("# The code was compiled with SSE2 instructions\n"); #endif #ifdef SSE3 printf("# The code was compiled with SSE3 instructions\n"); #endif #ifdef P4 printf("# The code was compiled for Pentium4\n"); #endif #ifdef OPTERON printf("# The code was compiled for AMD Opteron\n"); #endif #ifdef _NEW_GEOMETRY printf("# The code was compiled with -D_NEW_GEOMETRY\n"); #endif #ifdef _GAUGE_COPY printf("# The code was compiled with -D_GAUGE_COPY\n"); #endif printf("# The lattice size is %d x %d x %d x %d\n", (int)(T*g_nproc_t), (int)(LX*g_nproc_x), (int)(LY), (int)(LZ)); printf("# The local lattice size is %d x %d x %d x %d\n", (int)(T), (int)(LX), (int)(LY),(int) LZ); printf("# beta = %f , kappa= %f\n", g_beta, g_kappa); printf("# mus = %f, %f, %f\n", g_mu1, g_mu2, g_mu3); printf("# int_n_gauge = %d, int_n_ferm1 = %d, int_n_ferm2 = %d, int_n_ferm3 = %d\n", int_n[0], int_n[1], int_n[2], int_n[3]); printf("# g_rgi_C0 = %f, g_rgi_C1 = %f\n", g_rgi_C0, g_rgi_C1); printf("# Number of pseudo-fermion fields: %d\n", g_nr_of_psf); printf("# g_eps_sq_force = %e, g_eps_sq_acc = %e\n", g_eps_sq_force, g_eps_sq_acc); printf("# Integration scheme: "); if(integtyp == 1) printf("leap-frog (single time scale)\n"); if(integtyp == 2) printf("Sexton-Weingarten (single time scale)\n"); if(integtyp == 3) printf("leap-frog (multiple time scales)\n"); if(integtyp == 4) printf("Sexton-Weingarten (multiple time scales)\n"); if(integtyp == 5) printf("higher order and leap-frog (multiple time scales)\n"); printf("# Using %s precision for the inversions!\n", g_relative_precision_flag ? "relative" : "absolute"); printf("# Using in chronological inverter for spinor_field 1,2,3 a history of %d, %d, %d, respectively\n", g_csg_N[0], g_csg_N[2], g_csg_N[4]); fprintf(parameterfile, "The lattice size is %d x %d x %d x %d\n", (int)(g_nproc_t*T), (int)(g_nproc_x*LX), (int)(LY), (int)(LZ)); fprintf(parameterfile, "The local lattice size is %d x %d x %d x %d\n", (int)(T), (int)(LX), (int)(LY), (int)(LZ)); fprintf(parameterfile, "g_beta = %f , g_kappa= %f, c_sw = %f \n",g_beta,g_kappa,g_c_sw); fprintf(parameterfile, "boundary of fermion fields (t,x,y,z): %f %f %f %f \n",X0,X1,X2,X3); fprintf(parameterfile, "EPS_SQ0=%e, EPS_SQ1=%e EPS_SQ2=%e, EPS_SQ3=%e \n" ,EPS_SQ0,EPS_SQ1,EPS_SQ2,EPS_SQ3); fprintf(parameterfile, "g_eps_sq_force = %e, g_eps_sq_acc = %e\n", g_eps_sq_force, g_eps_sq_acc); fprintf(parameterfile, "dtau=%f, Nsteps=%d, Nmeas=%d, Nsave=%d, integtyp=%d, nsmall=%d \n", dtau,Nsteps,Nmeas,Nsave,integtyp,nsmall); fprintf(parameterfile, "mu = %f, mu2=%f, mu3=%f\n ", g_mu, g_mu2, g_mu3); fprintf(parameterfile, "int_n_gauge = %d, int_n_ferm1 = %d, int_n_ferm2 = %d, int_n_ferm3 = %d\n ", int_n[0], int_n[1], int_n[2], int_n[3]); fprintf(parameterfile, "g_rgi_C0 = %f, g_rgi_C1 = %f\n", g_rgi_C0, g_rgi_C1); fprintf(parameterfile, "# Number of pseudo-fermion fields: %d\n", g_nr_of_psf); fprintf(parameterfile, "# Integration scheme: "); if(integtyp == 1) fprintf(parameterfile, "leap-frog (single time scale)\n"); if(integtyp == 2) fprintf(parameterfile, "Sexton-Weingarten (single time scale)\n"); if(integtyp == 3) fprintf(parameterfile, "leap-frog (multiple time scales)\n"); if(integtyp == 4) fprintf(parameterfile, "Sexton-Weingarten (multiple time scales)\n"); if(integtyp == 5) fprintf(parameterfile, "higher order and leap-frog (multiple time scales)\n"); fprintf(parameterfile, "Using %s precision for the inversions!\n", g_relative_precision_flag ? "relative" : "absolute"); fprintf(parameterfile, "Using in chronological inverter for spinor_field 1,2,3 a history of %d, %d, %d, respectively\n", g_csg_N[0], g_csg_N[2], g_csg_N[4]); fflush(stdout); fflush(parameterfile); } /* define the geometry */ geometry(); /* define the boundary conditions for the fermion fields */ boundary(); check_geometry(); if(g_proc_id == 0) { #if defined GEOMETRIC if(g_proc_id==0) fprintf(parameterfile,"The geometric series is used as solver \n\n"); #else if(g_proc_id==0) fprintf(parameterfile,"The BICG_stab is used as solver \n\n"); #endif fflush(parameterfile); } /* Continue */ if(startoption == 3){ rlxdfile = fopen(rlxd_input_filename,"r"); if(rlxdfile != NULL) { if(g_proc_id == 0) { fread(rlxd_state,sizeof(rlxd_state),1,rlxdfile); } } else { if(g_proc_id == 0) { printf("%s does not exist, switching to restart...\n", rlxd_input_filename); } startoption = 2; } fclose(rlxdfile); if(startoption != 2) { if(g_proc_id == 0) { rlxd_reset(rlxd_state); printf("Reading Gauge field from file %s\n", gauge_input_filename); fflush(stdout); } read_gauge_field_time_p(gauge_input_filename,g_gauge_field); } } if(startoption != 3){ /* Initialize random number generator */ if(g_proc_id == 0) { rlxd_init(1, random_seed); /* hot */ if(startoption == 1) { random_gauge_field(); } rlxd_get(rlxd_state); #ifdef TM_USE_MPI MPI_Send(&rlxd_state[0], 105, MPI_INT, 1, 99, MPI_COMM_WORLD); MPI_Recv(&rlxd_state[0], 105, MPI_INT, g_nproc-1, 99, MPI_COMM_WORLD, &status); rlxd_reset(rlxd_state); #endif } #ifdef TM_USE_MPI else { MPI_Recv(&rlxd_state[0], 105, MPI_INT, g_proc_id-1, 99, MPI_COMM_WORLD, &status); rlxd_reset(rlxd_state); /* hot */ if(startoption == 1) { random_gauge_field(); } k=g_proc_id+1; if(k==g_nproc){ k=0; } rlxd_get(rlxd_state); MPI_Send(&rlxd_state[0], 105, MPI_INT, k, 99, MPI_COMM_WORLD); } #endif /* Cold */ if(startoption == 0) { unit_g_gauge_field(); } /* Restart */ else if(startoption == 2) { if (g_proc_id == 0){ printf("Reading Gauge field from file %s\n", gauge_input_filename); fflush(stdout); } read_gauge_field_time_p(gauge_input_filename,g_gauge_field); } } /*For parallelization: exchange the gaugefield */ #ifdef TM_USE_MPI xchange_gauge(g_gauge_field); #endif #ifdef _GAUGE_COPY update_backward_gauge(); #endif /*compute the energy of the gauge field*/ plaquette_energy=measure_gauge_action(); if(g_rgi_C1 > 0. || g_rgi_C1 < 0.) { rectangle_energy = measure_rectangles(); if(g_proc_id==0){ fprintf(parameterfile,"#First rectangle value: %14.12f \n",rectangle_energy/(12.*VOLUME*g_nproc)); } } eneg = g_rgi_C0 * plaquette_energy + g_rgi_C1 * rectangle_energy; /* Measure and print the Polyakov loop: */ polyakov_loop(&pl, dir); if(g_proc_id==0){ fprintf(parameterfile,"#First plaquette value: %14.12f \n", plaquette_energy/(6.*VOLUME*g_nproc)); fprintf(parameterfile,"#First Polyakov loop value in %d-direction |L(%d)|= %14.12f \n", dir, dir, cabs(pl)); } dir=3; polyakov_loop(&pl, dir); if(g_proc_id==0){ fprintf(parameterfile,"#First Polyakov loop value in %d-direction |L(%d)|= %14.12f \n", dir, dir, cabs(pl)); fclose(parameterfile); } /* set ddummy to zero */ for(ix = 0; ix < VOLUME+RAND; ix++){ for(mu=0; mu<4; mu++){ ddummy[ix][mu].d1=0.; ddummy[ix][mu].d2=0.; ddummy[ix][mu].d3=0.; ddummy[ix][mu].d4=0.; ddummy[ix][mu].d5=0.; ddummy[ix][mu].d6=0.; ddummy[ix][mu].d7=0.; ddummy[ix][mu].d8=0.; } } if(g_proc_id == 0) { gettimeofday(&t1,NULL); countfile = fopen("history_hmc_tm", "a"); fprintf(countfile, "!!! Timestamp %ld, Nsave = %d, g_mu = %e, g_mu1 = %e, g_mu_2 = %e, g_mu3 = %e, beta = %f, kappa = %f, C1 = %f, int0 = %d, int1 = %d, int2 = %d, int3 = %d, g_eps_sq_force = %e, g_eps_sq_acc = %e, ", t1.tv_sec, Nsave, g_mu, g_mu1, g_mu2, g_mu3, g_beta, g_kappa, g_rgi_C1, int_n[0], int_n[1], int_n[2], int_n[3], g_eps_sq_force, g_eps_sq_acc); fprintf(countfile, "Nsteps = %d, dtau = %e, tau = %e, integtyp = %d, rel. prec. = %d\n", Nsteps, dtau, tau, integtyp, g_relative_precision_flag); fclose(countfile); } /* HERE THE CALLS FOR SOME EIGENVALUES */ /* for lowest g_nev = 10; */ /* for largest */ g_nev = 10; max_iter_ev = 1000; stop_prec_ev = 1.e-10; if(g_proc_id==0) { printf(" Values of mu = %e mubar = %e eps = %e precision = %e \n \n", g_mu, g_mubar, g_epsbar, stop_prec_ev); } eigenvalues(&g_nev, operator_flag, max_iter_ev, stop_prec_ev); g_nev = 4; max_iter_ev = 200; stop_prec_ev = 1.e-03; max_eigenvalues(&g_nev, operator_flag, max_iter_ev, stop_prec_ev); if(g_proc_id==0) { printf(" Values of mu = %e mubar = %e eps = %e precision = %e \n \n", g_mu, g_mubar, g_epsbar, stop_prec_ev); /* printf(" Values of mu = %e precision = %e \n \n", g_mu, stop_prec_ev); */ } /* END OF EIGENVALUES CALLS */ if(g_proc_id==0) { rlxd_get(rlxd_state); rlxdfile=fopen("last_state","w"); fwrite(rlxd_state,sizeof(rlxd_state),1,rlxdfile); fclose(rlxdfile); printf("Acceptance Rate was: %e Prozent\n", 100.*(double)Rate/(double)Nmeas); fflush(stdout); parameterfile = fopen(parameterfilename, "a"); fprintf(parameterfile, "Acceptance Rate was: %e Prozent\n", 100.*(double)Rate/(double)Nmeas); fclose(parameterfile); } #ifdef TM_USE_MPI MPI_Finalize(); #endif free_gauge_tmp(); free_gauge_field(); free_geometry_indices(); free_spinor_field(); free_bispinor_field(); free_moment_field(); return(0); }
int main(int argc, char *argv[]) { FILE *parameterfile = NULL; int c, j, i, ix = 0, isample = 0, op_id = 0; char * filename = NULL; char datafilename[50]; char parameterfilename[50]; char conf_filename[50]; char * input_filename = NULL; double plaquette_energy; struct stout_parameters params_smear; spinor **s, *s_; #ifdef _KOJAK_INST #pragma pomp inst init #pragma pomp inst begin(main) #endif #if (defined SSE || defined SSE2 || SSE3) signal(SIGILL, &catch_ill_inst); #endif DUM_DERI = 8; DUM_MATRIX = DUM_DERI + 5; #if ((defined BGL && defined XLC) || defined _USE_TSPLITPAR) NO_OF_SPINORFIELDS = DUM_MATRIX + 3; #else NO_OF_SPINORFIELDS = DUM_MATRIX + 3; #endif verbose = 0; g_use_clover_flag = 0; #ifdef MPI # ifdef OMP int mpi_thread_provided; MPI_Init_thread(&argc, &argv, MPI_THREAD_SERIALIZED, &mpi_thread_provided); # else MPI_Init(&argc, &argv); # endif MPI_Comm_rank(MPI_COMM_WORLD, &g_proc_id); #else g_proc_id = 0; #endif while ((c = getopt(argc, argv, "h?vVf:o:")) != -1) { switch (c) { case 'f': input_filename = calloc(200, sizeof(char)); strcpy(input_filename, optarg); break; case 'o': filename = calloc(200, sizeof(char)); strcpy(filename, optarg); break; case 'v': verbose = 1; break; case 'V': fprintf(stdout,"%s %s\n",PACKAGE_STRING,git_hash); exit(0); break; case 'h': case '?': default: usage(); break; } } if (input_filename == NULL) { input_filename = "invert.input"; } if (filename == NULL) { filename = "output"; } /* Read the input file */ if( (j = read_input(input_filename)) != 0) { fprintf(stderr, "Could not find input file: %s\nAborting...\n", input_filename); exit(-1); } #ifdef OMP if(omp_num_threads > 0) { omp_set_num_threads(omp_num_threads); } else { if( g_proc_id == 0 ) printf("# No value provided for OmpNumThreads, running in single-threaded mode!\n"); omp_num_threads = 1; omp_set_num_threads(omp_num_threads); } init_omp_accumulators(omp_num_threads); #endif /* this DBW2 stuff is not needed for the inversion ! */ if (g_dflgcr_flag == 1) { even_odd_flag = 0; } g_rgi_C1 = 0; if (Nsave == 0) { Nsave = 1; } if (g_running_phmc) { NO_OF_SPINORFIELDS = DUM_MATRIX + 8; } tmlqcd_mpi_init(argc, argv); g_dbw2rand = 0; /* starts the single and double precision random number */ /* generator */ start_ranlux(rlxd_level, random_seed); /* we need to make sure that we don't have even_odd_flag = 1 */ /* if any of the operators doesn't use it */ /* in this way even/odd can still be used by other operators */ for(j = 0; j < no_operators; j++) if(!operator_list[j].even_odd_flag) even_odd_flag = 0; #ifndef MPI g_dbw2rand = 0; #endif #ifdef _GAUGE_COPY j = init_gauge_field(VOLUMEPLUSRAND, 1); #else j = init_gauge_field(VOLUMEPLUSRAND, 0); #endif if (j != 0) { fprintf(stderr, "Not enough memory for gauge_fields! Aborting...\n"); exit(-1); } j = init_geometry_indices(VOLUMEPLUSRAND); if (j != 0) { fprintf(stderr, "Not enough memory for geometry indices! Aborting...\n"); exit(-1); } if (no_monomials > 0) { if (even_odd_flag) { j = init_monomials(VOLUMEPLUSRAND / 2, even_odd_flag); } else { j = init_monomials(VOLUMEPLUSRAND, even_odd_flag); } if (j != 0) { fprintf(stderr, "Not enough memory for monomial pseudo fermion fields! Aborting...\n"); exit(-1); } } if (even_odd_flag) { j = init_spinor_field(VOLUMEPLUSRAND / 2, NO_OF_SPINORFIELDS); } else { j = init_spinor_field(VOLUMEPLUSRAND, NO_OF_SPINORFIELDS); } if (j != 0) { fprintf(stderr, "Not enough memory for spinor fields! Aborting...\n"); exit(-1); } if (g_running_phmc) { j = init_chi_spinor_field(VOLUMEPLUSRAND / 2, 20); if (j != 0) { fprintf(stderr, "Not enough memory for PHMC Chi fields! Aborting...\n"); exit(-1); } } g_mu = g_mu1; if (g_cart_id == 0) { /*construct the filenames for the observables and the parameters*/ strcpy(datafilename, filename); strcat(datafilename, ".data"); strcpy(parameterfilename, filename); strcat(parameterfilename, ".para"); parameterfile = fopen(parameterfilename, "w"); write_first_messages(parameterfile, 1); fclose(parameterfile); } /* define the geometry */ geometry(); /* define the boundary conditions for the fermion fields */ boundary(g_kappa); phmc_invmaxev = 1.; init_operators(); /* this could be maybe moved to init_operators */ #ifdef _USE_HALFSPINOR j = init_dirac_halfspinor(); if (j != 0) { fprintf(stderr, "Not enough memory for halffield! Aborting...\n"); exit(-1); } if (g_sloppy_precision_flag == 1) { j = init_dirac_halfspinor32(); if (j != 0) { fprintf(stderr, "Not enough memory for 32-bit halffield! Aborting...\n"); exit(-1); } } # if (defined _PERSISTENT) if (even_odd_flag) init_xchange_halffield(); # endif #endif for (j = 0; j < Nmeas; j++) { sprintf(conf_filename, "%s.%.4d", gauge_input_filename, nstore); if (g_cart_id == 0) { printf("#\n# Trying to read gauge field from file %s in %s precision.\n", conf_filename, (gauge_precision_read_flag == 32 ? "single" : "double")); fflush(stdout); } if( (i = read_gauge_field(conf_filename)) !=0) { fprintf(stderr, "Error %d while reading gauge field from %s\n Aborting...\n", i, conf_filename); exit(-2); } if (g_cart_id == 0) { printf("# Finished reading gauge field.\n"); fflush(stdout); } #ifdef MPI xchange_gauge(g_gauge_field); #endif /*compute the energy of the gauge field*/ plaquette_energy = measure_gauge_action( (const su3**) g_gauge_field); if (g_cart_id == 0) { printf("# The computed plaquette value is %e.\n", plaquette_energy / (6.*VOLUME*g_nproc)); fflush(stdout); } if (use_stout_flag == 1){ params_smear.rho = stout_rho; params_smear.iterations = stout_no_iter; /* if (stout_smear((su3_tuple*)(g_gauge_field[0]), ¶ms_smear, (su3_tuple*)(g_gauge_field[0])) != 0) */ /* exit(1) ; */ g_update_gauge_copy = 1; g_update_gauge_energy = 1; g_update_rectangle_energy = 1; plaquette_energy = measure_gauge_action( (const su3**) g_gauge_field); if (g_cart_id == 0) { printf("# The plaquette value after stouting is %e\n", plaquette_energy / (6.*VOLUME*g_nproc)); fflush(stdout); } } if (reweighting_flag == 1) { reweighting_factor(reweighting_samples, nstore); } /* Compute minimal eigenvalues, if wanted */ if (compute_evs != 0) { eigenvalues(&no_eigenvalues, 5000, eigenvalue_precision, 0, compute_evs, nstore, even_odd_flag); } if (phmc_compute_evs != 0) { #ifdef MPI MPI_Finalize(); #endif return(0); } /* Compute the mode number or topological susceptibility using spectral projectors, if wanted*/ if(compute_modenumber != 0 || compute_topsus !=0){ s_ = calloc(no_sources_z2*VOLUMEPLUSRAND+1, sizeof(spinor)); s = calloc(no_sources_z2, sizeof(spinor*)); if(s_ == NULL) { printf("Not enough memory in %s: %d",__FILE__,__LINE__); exit(42); } if(s == NULL) { printf("Not enough memory in %s: %d",__FILE__,__LINE__); exit(42); } for(i = 0; i < no_sources_z2; i++) { #if (defined SSE3 || defined SSE2 || defined SSE) s[i] = (spinor*)(((unsigned long int)(s_)+ALIGN_BASE)&~ALIGN_BASE)+i*VOLUMEPLUSRAND; #else s[i] = s_+i*VOLUMEPLUSRAND; #endif z2_random_spinor_field(s[i], VOLUME); /* what is this here needed for?? */ /* spinor *aux_,*aux; */ /* #if ( defined SSE || defined SSE2 || defined SSE3 ) */ /* aux_=calloc(VOLUMEPLUSRAND+1, sizeof(spinor)); */ /* aux = (spinor *)(((unsigned long int)(aux_)+ALIGN_BASE)&~ALIGN_BASE); */ /* #else */ /* aux_=calloc(VOLUMEPLUSRAND, sizeof(spinor)); */ /* aux = aux_; */ /* #endif */ if(g_proc_id == 0) { printf("source %d \n", i); } if(compute_modenumber != 0){ mode_number(s[i], mstarsq); } if(compute_topsus !=0) { top_sus(s[i], mstarsq); } } free(s); free(s_); } /* move to operators as well */ if (g_dflgcr_flag == 1) { /* set up deflation blocks */ init_blocks(nblocks_t, nblocks_x, nblocks_y, nblocks_z); /* the can stay here for now, but later we probably need */ /* something like init_dfl_solver called somewhere else */ /* create set of approximate lowest eigenvectors ("global deflation subspace") */ /* g_mu = 0.; */ /* boundary(0.125); */ generate_dfl_subspace(g_N_s, VOLUME); /* boundary(g_kappa); */ /* g_mu = g_mu1; */ /* Compute little Dirac operators */ /* alt_block_compute_little_D(); */ if (g_debug_level > 0) { check_projectors(); check_local_D(); } if (g_debug_level > 1) { check_little_D_inversion(); } } if(SourceInfo.type == 1) { index_start = 0; index_end = 1; } g_precWS=NULL; if(use_preconditioning == 1){ /* todo load fftw wisdom */ #if (defined HAVE_FFTW ) && !( defined MPI) loadFFTWWisdom(g_spinor_field[0],g_spinor_field[1],T,LX); #else use_preconditioning=0; #endif } if (g_cart_id == 0) { fprintf(stdout, "#\n"); /*Indicate starting of the operator part*/ } for(op_id = 0; op_id < no_operators; op_id++) { boundary(operator_list[op_id].kappa); g_kappa = operator_list[op_id].kappa; g_mu = 0.; if(use_preconditioning==1 && PRECWSOPERATORSELECT[operator_list[op_id].solver]!=PRECWS_NO ){ printf("# Using preconditioning with treelevel preconditioning operator: %s \n", precWSOpToString(PRECWSOPERATORSELECT[operator_list[op_id].solver])); /* initial preconditioning workspace */ operator_list[op_id].precWS=(spinorPrecWS*)malloc(sizeof(spinorPrecWS)); spinorPrecWS_Init(operator_list[op_id].precWS, operator_list[op_id].kappa, operator_list[op_id].mu/2./operator_list[op_id].kappa, -(0.5/operator_list[op_id].kappa-4.), PRECWSOPERATORSELECT[operator_list[op_id].solver]); g_precWS = operator_list[op_id].precWS; if(PRECWSOPERATORSELECT[operator_list[op_id].solver] == PRECWS_D_DAGGER_D) { fitPrecParams(op_id); } } for(isample = 0; isample < no_samples; isample++) { for (ix = index_start; ix < index_end; ix++) { if (g_cart_id == 0) { fprintf(stdout, "#\n"); /*Indicate starting of new index*/ } /* we use g_spinor_field[0-7] for sources and props for the moment */ /* 0-3 in case of 1 flavour */ /* 0-7 in case of 2 flavours */ prepare_source(nstore, isample, ix, op_id, read_source_flag, source_location); operator_list[op_id].inverter(op_id, index_start); } } if(use_preconditioning==1 && operator_list[op_id].precWS!=NULL ){ /* free preconditioning workspace */ spinorPrecWS_Free(operator_list[op_id].precWS); free(operator_list[op_id].precWS); } if(operator_list[op_id].type == OVERLAP){ free_Dov_WS(); } } nstore += Nsave; } #ifdef MPI MPI_Finalize(); #endif #ifdef OMP free_omp_accumulators(); #endif free_blocks(); free_dfl_subspace(); free_gauge_field(); free_geometry_indices(); free_spinor_field(); free_moment_field(); free_chi_spinor_field(); return(0); #ifdef _KOJAK_INST #pragma pomp inst end(main) #endif }
int main(int argc,char *argv[]) { double plaquette_energy; paramsXlfInfo *xlfInfo; #ifdef MPI MPI_Init(&argc, &argv); #endif g_rgi_C1 = 1.; /* Read the input file */ read_input("benchmark.input"); tmlqcd_mpi_init(argc, argv); #ifdef _GAUGE_COPY init_gauge_field(VOLUMEPLUSRAND + g_dbw2rand, 1); #else init_gauge_field(VOLUMEPLUSRAND + g_dbw2rand, 0); #endif init_geometry_indices(VOLUMEPLUSRAND + g_dbw2rand); if(g_proc_id == 0) { fprintf(stdout,"The number of processes is %d \n",g_nproc); printf("# The lattice size is %d x %d x %d x %d\n", (int)(T*g_nproc_t), (int)(LX*g_nproc_x), (int)(LY*g_nproc_y), (int)(g_nproc_z*LZ)); printf("# The local lattice size is %d x %d x %d x %d\n", (int)(T), (int)(LX), (int)(LY),(int) LZ); printf("# Testing IO routines for gauge-fields\n"); fflush(stdout); } /* define the geometry */ geometry(); /* define the boundary conditions for the fermion fields */ boundary(g_kappa); /* generate a random gauge field */ start_ranlux(1, 123456); random_gauge_field(reproduce_randomnumber_flag, g_gauge_field); #ifdef MPI /*For parallelization: exchange the gaugefield */ xchange_gauge(g_gauge_field); #endif plaquette_energy = measure_gauge_action(g_gauge_field) / (6.*VOLUME*g_nproc); if(g_proc_id == 0) { printf("# the first plaquette value is %e\n", plaquette_energy); printf("# writing with lime first to conf.lime\n"); } /* write with lime first */ xlfInfo = construct_paramsXlfInfo(plaquette_energy, 0); write_lime_gauge_field( "conf.lime", 64, xlfInfo); #ifdef HAVE_LIBLEMON if(g_proc_id == 0) { printf("Now we do write with lemon to conf.lemon...\n"); } write_lemon_gauge_field_parallel( "conf.lemon", 64, xlfInfo); if(g_proc_id == 0) { printf("# now we read with lemon from conf.lime\n"); } read_lemon_gauge_field_parallel("conf.lime", NULL, NULL, NULL); plaquette_energy = measure_gauge_action(g_gauge_field) / (6.*VOLUME*g_nproc); if(g_proc_id == 0) { printf("# the plaquette value after lemon read of conf.lime is %e\n", plaquette_energy); } if(g_proc_id == 0) { printf("# now we read with lemon from conf.lemon\n"); } read_lemon_gauge_field_parallel("conf.lemon", NULL, NULL, NULL); plaquette_energy = measure_gauge_action(g_gauge_field) / (6.*VOLUME*g_nproc); if(g_proc_id == 0) { printf("# the plaquette value after lemon read of conf.lemon is %e\n", plaquette_energy); } if(g_proc_id == 0) { printf("# now we read with lime from conf.lemon\n"); } read_lime_gauge_field("conf.lemon"); plaquette_energy = measure_gauge_action(g_gauge_field) / (6.*VOLUME*g_nproc); if(g_proc_id == 0) { printf("# the plaquette value after lime read of conf.lemon is %e\n", plaquette_energy); } free(xlfInfo); if(g_proc_id==0) { printf("done ...\n"); } #endif if(g_proc_id == 0) { printf("# now we read with lime from conf.lime\n"); } read_lime_gauge_field("conf.lime", NULL, NULL, NULL); plaquette_energy = measure_gauge_action(g_gauge_field) / (6.*VOLUME*g_nproc); if(g_proc_id == 0) { printf("# the plaquette value after lime read of conf.lime is %e\n", plaquette_energy); } #ifdef MPI MPI_Finalize(); #endif free_gauge_field(); free_geometry_indices(); return(0); }
int main(int argc,char *argv[]) { FILE *parameterfile=NULL, *countfile=NULL; char *filename = NULL; char datafilename[50]; char parameterfilename[50]; char gauge_filename[50]; char nstore_filename[50]; char tmp_filename[50]; char *input_filename = NULL; int status = 0, accept = 0; int j,ix,mu, trajectory_counter=1; struct timeval t1; /* Energy corresponding to the Gauge part */ double plaquette_energy = 0., rectangle_energy = 0.; /* Acceptance rate */ int Rate=0; /* Do we want to perform reversibility checks */ /* See also return_check_flag in read_input.h */ int return_check = 0; /* For getopt */ int c; paramsXlfInfo *xlfInfo; /* For online measurements */ measurement * meas; int imeas; #ifdef _KOJAK_INST #pragma pomp inst init #pragma pomp inst begin(main) #endif #if (defined SSE || defined SSE2 || SSE3) signal(SIGILL,&catch_ill_inst); #endif strcpy(gauge_filename,"conf.save"); strcpy(nstore_filename,".nstore_counter"); strcpy(tmp_filename, ".conf.tmp"); verbose = 1; g_use_clover_flag = 0; #ifdef MPI # ifdef OMP int mpi_thread_provided; MPI_Init_thread(&argc, &argv, MPI_THREAD_SERIALIZED, &mpi_thread_provided); # else MPI_Init(&argc, &argv); # endif MPI_Comm_rank(MPI_COMM_WORLD, &g_proc_id); #else g_proc_id = 0; #endif while ((c = getopt(argc, argv, "h?vVf:o:")) != -1) { switch (c) { case 'f': input_filename = calloc(200, sizeof(char)); strcpy(input_filename,optarg); break; case 'o': filename = calloc(200, sizeof(char)); strcpy(filename,optarg); break; case 'v': verbose = 1; break; case 'V': fprintf(stdout,"%s %s\n",PACKAGE_STRING,git_hash); exit(0); break; case 'h': case '?': default: usage(); break; } } if(input_filename == NULL){ input_filename = "hmc.input"; } if(filename == NULL){ filename = "output"; } /* Read the input file */ if( (status = read_input(input_filename)) != 0) { fprintf(stderr, "Could not find input file: %s\nAborting...\n", input_filename); exit(-1); } /* set number of omp threads to be used */ #ifdef OMP if(omp_num_threads > 0) { omp_set_num_threads(omp_num_threads); } else { if( g_proc_id == 0 ) printf("# No value provided for OmpNumThreads, running in single-threaded mode!\n"); omp_num_threads = 1; omp_set_num_threads(omp_num_threads); } init_omp_accumulators(omp_num_threads); #endif DUM_DERI = 4; DUM_SOLVER = DUM_DERI+1; DUM_MATRIX = DUM_SOLVER+6; if(g_running_phmc) { NO_OF_SPINORFIELDS = DUM_MATRIX+8; } else { NO_OF_SPINORFIELDS = DUM_MATRIX+6; } DUM_BI_DERI = 6; DUM_BI_SOLVER = DUM_BI_DERI+7; DUM_BI_MATRIX = DUM_BI_SOLVER+6; NO_OF_BISPINORFIELDS = DUM_BI_MATRIX+6; tmlqcd_mpi_init(argc, argv); if(nstore == -1) { countfile = fopen(nstore_filename, "r"); if(countfile != NULL) { j = fscanf(countfile, "%d %d %s\n", &nstore, &trajectory_counter, gauge_input_filename); if(j < 1) nstore = 0; if(j < 2) trajectory_counter = 0; fclose(countfile); } else { nstore = 0; trajectory_counter = 0; } } #ifndef MPI g_dbw2rand = 0; #endif g_mu = g_mu1; #ifdef _GAUGE_COPY status = init_gauge_field(VOLUMEPLUSRAND + g_dbw2rand, 1); #else status = init_gauge_field(VOLUMEPLUSRAND + g_dbw2rand, 0); #endif if (status != 0) { fprintf(stderr, "Not enough memory for gauge_fields! Aborting...\n"); exit(0); } j = init_geometry_indices(VOLUMEPLUSRAND + g_dbw2rand); if (j != 0) { fprintf(stderr, "Not enough memory for geometry_indices! Aborting...\n"); exit(0); } if(even_odd_flag) { j = init_spinor_field(VOLUMEPLUSRAND/2, NO_OF_SPINORFIELDS); } else { j = init_spinor_field(VOLUMEPLUSRAND, NO_OF_SPINORFIELDS); } if (j != 0) { fprintf(stderr, "Not enough memory for spinor fields! Aborting...\n"); exit(0); } if(even_odd_flag) { j = init_csg_field(VOLUMEPLUSRAND/2); } else { j = init_csg_field(VOLUMEPLUSRAND); } if (j != 0) { fprintf(stderr, "Not enough memory for csg fields! Aborting...\n"); exit(0); } j = init_moment_field(VOLUME, VOLUMEPLUSRAND + g_dbw2rand); if (j != 0) { fprintf(stderr, "Not enough memory for moment fields! Aborting...\n"); exit(0); } if(g_running_phmc) { j = init_bispinor_field(VOLUME/2, NO_OF_BISPINORFIELDS); if (j!= 0) { fprintf(stderr, "Not enough memory for bi-spinor fields! Aborting...\n"); exit(0); } } /* list and initialize measurements*/ if(g_proc_id == 0) { printf("\n"); for(j = 0; j < no_measurements; j++) { printf("# measurement id %d, type = %d: Frequency %d\n", j, measurement_list[j].type, measurement_list[j].freq); } } init_measurements(); /*construct the filenames for the observables and the parameters*/ strcpy(datafilename,filename); strcat(datafilename,".data"); strcpy(parameterfilename,filename); strcat(parameterfilename,".para"); if(g_proc_id == 0){ parameterfile = fopen(parameterfilename, "a"); write_first_messages(parameterfile, "hmc", git_hash); } /* define the geometry */ geometry(); /* define the boundary conditions for the fermion fields */ boundary(g_kappa); status = check_geometry(); if (status != 0) { fprintf(stderr, "Checking of geometry failed. Unable to proceed.\nAborting....\n"); exit(1); } #ifdef _USE_HALFSPINOR j = init_dirac_halfspinor(); if (j!= 0) { fprintf(stderr, "Not enough memory for halffield! Aborting...\n"); exit(-1); } if(g_sloppy_precision_flag == 1) { init_dirac_halfspinor32(); } # if (defined _PERSISTENT) init_xchange_halffield(); # endif #endif /* Initialise random number generator */ start_ranlux(rlxd_level, random_seed^nstore ); /* Set up the gauge field */ /* continue and restart */ if(startoption==3 || startoption == 2) { if(g_proc_id == 0) { printf("# Trying to read gauge field from file %s in %s precision.\n", gauge_input_filename, (gauge_precision_read_flag == 32 ? "single" : "double")); fflush(stdout); } if( (status = read_gauge_field(gauge_input_filename)) != 0) { fprintf(stderr, "Error %d while reading gauge field from %s\nAborting...\n", status, gauge_input_filename); exit(-2); } if (g_proc_id == 0){ printf("# Finished reading gauge field.\n"); fflush(stdout); } } else if (startoption == 1) { /* hot */ random_gauge_field(reproduce_randomnumber_flag, g_gauge_field); } else if(startoption == 0) { /* cold */ unit_g_gauge_field(); } /*For parallelization: exchange the gaugefield */ #ifdef MPI xchange_gauge(g_gauge_field); #endif if(even_odd_flag) { j = init_monomials(VOLUMEPLUSRAND/2, even_odd_flag); } else { j = init_monomials(VOLUMEPLUSRAND, even_odd_flag); } if (j != 0) { fprintf(stderr, "Not enough memory for monomial pseudo fermion fields! Aborting...\n"); exit(0); } init_integrator(); if(g_proc_id == 0) { for(j = 0; j < no_monomials; j++) { printf("# monomial id %d type = %d timescale %d\n", j, monomial_list[j].type, monomial_list[j].timescale); } } plaquette_energy = measure_gauge_action( (const su3**) g_gauge_field); if(g_rgi_C1 > 0. || g_rgi_C1 < 0.) { rectangle_energy = measure_rectangles( (const su3**) g_gauge_field); if(g_proc_id == 0){ fprintf(parameterfile,"# Computed rectangle value: %14.12f.\n",rectangle_energy/(12.*VOLUME*g_nproc)); } } //eneg = g_rgi_C0 * plaquette_energy + g_rgi_C1 * rectangle_energy; if(g_proc_id == 0) { fprintf(parameterfile,"# Computed plaquette value: %14.12f.\n", plaquette_energy/(6.*VOLUME*g_nproc)); printf("# Computed plaquette value: %14.12f.\n", plaquette_energy/(6.*VOLUME*g_nproc)); fclose(parameterfile); } /* set ddummy to zero */ for(ix = 0; ix < VOLUMEPLUSRAND; ix++){ for(mu=0; mu<4; mu++){ ddummy[ix][mu].d1=0.; ddummy[ix][mu].d2=0.; ddummy[ix][mu].d3=0.; ddummy[ix][mu].d4=0.; ddummy[ix][mu].d5=0.; ddummy[ix][mu].d6=0.; ddummy[ix][mu].d7=0.; ddummy[ix][mu].d8=0.; } } if(g_proc_id == 0) { gettimeofday(&t1,NULL); countfile = fopen("history_hmc_tm", "a"); fprintf(countfile, "!!! Timestamp %ld, Nsave = %d, g_mu = %e, g_mu1 = %e, g_mu_2 = %e, g_mu3 = %e, beta = %f, kappa = %f, C1 = %f, ", t1.tv_sec, Nsave, g_mu, g_mu1, g_mu2, g_mu3, g_beta, g_kappa, g_rgi_C1); for(j = 0; j < Integrator.no_timescales; j++) { fprintf(countfile, "n_int[%d] = %d ", j, Integrator.no_mnls_per_ts[j]); } fprintf(countfile, "\n"); fclose(countfile); } /* Loop for measurements */ for(j = 0; j < Nmeas; j++) { if(g_proc_id == 0) { printf("#\n# Starting trajectory no %d\n", trajectory_counter); } return_check = return_check_flag && (trajectory_counter%return_check_interval == 0); accept = update_tm(&plaquette_energy, &rectangle_energy, datafilename, return_check, Ntherm<trajectory_counter, trajectory_counter); Rate += accept; /* Save gauge configuration all Nsave times */ if((Nsave !=0) && (trajectory_counter%Nsave == 0) && (trajectory_counter!=0)) { sprintf(gauge_filename,"conf.%.4d", nstore); if(g_proc_id == 0) { countfile = fopen("history_hmc_tm", "a"); fprintf(countfile, "%.4d, measurement %d of %d, Nsave = %d, Plaquette = %e, trajectory nr = %d\n", nstore, j, Nmeas, Nsave, plaquette_energy/(6.*VOLUME*g_nproc), trajectory_counter); fclose(countfile); } nstore ++; } else { sprintf(gauge_filename,"conf.save"); } if(((Nsave !=0) && (trajectory_counter%Nsave == 0) && (trajectory_counter!=0)) || (write_cp_flag == 1) || (j >= (Nmeas - 1))) { /* If a reversibility check was performed this trajectory, and the trajectory was accepted, * then the configuration is currently stored in .conf.tmp, written out by update_tm. * In that case also a readback was performed, so no need to test .conf.tmp * In all other cases the gauge configuration still needs to be written out here. */ if (!(return_check && accept)) { xlfInfo = construct_paramsXlfInfo(plaquette_energy/(6.*VOLUME*g_nproc), trajectory_counter); if (g_proc_id == 0) { fprintf(stdout, "# Writing gauge field to %s.\n", tmp_filename); } if((status = write_gauge_field( tmp_filename, gauge_precision_write_flag, xlfInfo) != 0 )) { /* Writing the gauge field failed directly */ fprintf(stderr, "Error %d while writing gauge field to %s\nAborting...\n", status, tmp_filename); exit(-2); } if (!g_disable_IO_checks) { #ifdef HAVE_LIBLEMON /* Read gauge field back to verify the writeout */ if (g_proc_id == 0) { fprintf(stdout, "# Write completed, verifying write...\n"); } if( (status = read_gauge_field(tmp_filename)) != 0) { fprintf(stderr, "WARNING, writeout of %s returned no error, but verification discovered errors.\n", tmp_filename); fprintf(stderr, "Potential disk or MPI I/O error. Aborting...\n"); exit(-3); } if (g_proc_id == 0) { fprintf(stdout, "# Write successfully verified.\n"); } #else if (g_proc_id == 0) { fprintf(stdout, "# Write completed successfully.\n"); } #endif } free(xlfInfo); } /* Now move .conf.tmp into place */ if(g_proc_id == 0) { fprintf(stdout, "# Renaming %s to %s.\n", tmp_filename, gauge_filename); if (rename(tmp_filename, gauge_filename) != 0) { /* Errno can be inspected here for more descriptive error reporting */ fprintf(stderr, "Error while trying to rename temporary file %s to %s. Unable to proceed.\n", tmp_filename, gauge_filename); exit(-2); } countfile = fopen(nstore_filename, "w"); fprintf(countfile, "%d %d %s\n", nstore, trajectory_counter+1, gauge_filename); fclose(countfile); } } /* online measurements */ for(imeas = 0; imeas < no_measurements; imeas++){ meas = &measurement_list[imeas]; if(trajectory_counter%meas->freq == 0){ if (g_proc_id == 0) { fprintf(stdout, "#\n# Beginning online measurement.\n"); } meas->measurefunc(trajectory_counter, imeas, even_odd_flag); } } if(g_proc_id == 0) { verbose = 1; } ix = reread_input("hmc.reread"); if(g_proc_id == 0) { verbose = 0; } #ifdef MPI MPI_Barrier(MPI_COMM_WORLD); #endif if(ix == 0 && g_proc_id == 0) { countfile = fopen("history_hmc_tm", "a"); fprintf(countfile, "# Changed input parameters according to hmc.reread: measurement %d of %d\n", j, Nmeas); fclose(countfile); printf("# Changed input parameters according to hmc.reread (see stdout): measurement %d of %d\n", j, Nmeas); remove("hmc.reread"); } trajectory_counter++; } /* end of loop over trajectories */ if(g_proc_id == 0 && Nmeas != 0) { printf("# Acceptance rate was %3.2f percent, %d out of %d trajectories accepted.\n", 100.*(double)Rate/(double)Nmeas, Rate, Nmeas); fflush(stdout); parameterfile = fopen(parameterfilename, "a"); fprintf(parameterfile, "# Acceptance rate was %3.2f percent, %d out of %d trajectories accepted.\n", 100.*(double)Rate/(double)Nmeas, Rate, Nmeas); fclose(parameterfile); } #ifdef MPI MPI_Finalize(); #endif #ifdef OMP free_omp_accumulators(); #endif free_gauge_tmp(); free_gauge_field(); free_geometry_indices(); free_spinor_field(); free_moment_field(); free_monomials(); if(g_running_phmc) { free_bispinor_field(); free_chi_spinor_field(); } return(0); #ifdef _KOJAK_INST #pragma pomp inst end(main) #endif }
int main(int argc,char *argv[]) { FILE *parameterfile=NULL; int c, j, is=0, ic=0; int x, X, y, Y, z, Z, t, tt, i, sum; char * filename = NULL; char datafilename[50]; char parameterfilename[50]; char conf_filename[50]; char * input_filename = NULL; double plaquette_energy, nrm; double * norm; struct stout_parameters params_smear; #ifdef _GAUGE_COPY int kb=0; #endif #ifdef MPI double atime=0., etime=0.; #endif #ifdef _KOJAK_INST #pragma pomp inst init #pragma pomp inst begin(main) #endif DUM_DERI = 6; /* DUM_DERI + 2 is enough (not 7) */ DUM_SOLVER = DUM_DERI+2; DUM_MATRIX = DUM_SOLVER+6; /* DUM_MATRIX + 2 is enough (not 6) */ NO_OF_SPINORFIELDS = DUM_MATRIX+2; verbose = 0; g_use_clover_flag = 0; g_nr_of_psf = 1; #ifdef MPI MPI_Init(&argc, &argv); #endif while ((c = getopt(argc, argv, "h?f:o:")) != -1) { switch (c) { case 'f': input_filename = calloc(200, sizeof(char)); strcpy(input_filename,optarg); break; case 'o': filename = calloc(200, sizeof(char)); strcpy(filename,optarg); break; case 'h': case '?': default: usage(); break; } } if(input_filename == NULL){ input_filename = "hmc.input"; } if(filename == NULL){ filename = "output"; } /* Read the input file */ read_input(input_filename); /* here we want no even/odd preconditioning */ even_odd_flag = 0; /* this DBW2 stuff is not needed for the inversion ! */ g_rgi_C1 = 0; if(Nsave == 0){ Nsave = 1; } tmlqcd_mpi_init(argc, argv); g_dbw2rand = 0; #ifndef MPI g_dbw2rand = 0; #endif #ifdef _GAUGE_COPY j = init_gauge_field(VOLUMEPLUSRAND, 1); #else j = init_gauge_field(VOLUMEPLUSRAND, 0); #endif if ( j!= 0) { fprintf(stderr, "Not enough memory for gauge_fields! Aborting...\n"); exit(-1); } j = init_geometry_indices(VOLUMEPLUSRAND); if ( j!= 0) { fprintf(stderr, "Not enough memory for geometry indices! Aborting...\n"); exit(-1); } if(even_odd_flag) { j = init_spinor_field(VOLUMEPLUSRAND/2, NO_OF_SPINORFIELDS); } else { j = init_spinor_field(VOLUMEPLUSRAND, NO_OF_SPINORFIELDS); } if ( j!= 0) { fprintf(stderr, "Not enough memory for spinor fields! Aborting...\n"); exit(-1); } g_mu = g_mu1; if(g_proc_id == 0){ /*construct the filenames for the observables and the parameters*/ strcpy(datafilename,filename); strcat(datafilename,".data"); strcpy(parameterfilename,filename); strcat(parameterfilename,".para"); parameterfile=fopen(parameterfilename, "w"); write_first_messages(parameterfile, 0, 1); } /* define the geometry */ geometry(); /* define the boundary conditions for the fermion fields */ boundary(); #ifdef _USE_HALFSPINOR j = init_dirac_halfspinor(); if ( j!= 0) { fprintf(stderr, "Not enough memory for halffield! Aborting...\n"); exit(-1); } if(g_sloppy_precision_flag == 1) { j = init_dirac_halfspinor32(); if ( j!= 0) { fprintf(stderr, "Not enough memory for 32-Bit halffield! Aborting...\n"); exit(-1); } } # if (defined _PERSISTENT) init_xchange_halffield(); # endif #endif norm = (double*)calloc(3.*LX/2.+T/2., sizeof(double)); for(j=0;j<Nmeas; j++) { sprintf(conf_filename,"%s.%.4d", gauge_input_filename, nstore); if (g_proc_id == 0){ printf("Reading Gauge field from file %s\n", conf_filename); fflush(stdout); } read_lime_gauge_field(conf_filename); if (g_proc_id == 0){ printf("done!\n"); fflush(stdout); } #ifdef MPI xchange_gauge(); #endif #ifdef _GAUGE_COPY update_backward_gauge(); #endif /* Compute minimal eigenvalues, if wanted */ if(compute_evs != 0) { eigenvalues(&no_eigenvalues, 1000, eigenvalue_precision, 0, compute_evs, nstore, even_odd_flag); } /*compute the energy of the gauge field*/ plaquette_energy = measure_gauge_action(); if(g_proc_id == 0) { printf("The plaquette value is %e\n", plaquette_energy/(6.*VOLUME*g_nproc)); fflush(stdout); } if (use_stout_flag == 1){ params_smear.rho = stout_rho; params_smear.iterations = stout_no_iter; if (stout_smear((su3_tuple*)(g_gauge_field[0]), ¶ms_smear, (su3_tuple*)(g_gauge_field[0])) != 0) exit(1) ; g_update_gauge_copy = 1; g_update_gauge_energy = 1; g_update_rectangle_energy = 1; plaquette_energy = measure_gauge_action(); if (g_proc_id == 0) { printf("# The plaquette value after stouting is %e\n", plaquette_energy / (6.*VOLUME*g_nproc)); fflush(stdout); } } source_spinor_field(g_spinor_field[0], g_spinor_field[1], 0, 0); convert_eo_to_lexic(g_spinor_field[DUM_DERI], g_spinor_field[0], g_spinor_field[1]); D_psi(g_spinor_field[DUM_DERI+1], g_spinor_field[DUM_DERI]); if(even_odd_flag) { i = invert_eo(g_spinor_field[2], g_spinor_field[3], g_spinor_field[0], g_spinor_field[1], solver_precision, max_solver_iterations, solver_flag, g_relative_precision_flag, sub_evs_cg_flag, even_odd_flag); convert_eo_to_lexic(g_spinor_field[DUM_DERI+1], g_spinor_field[2], g_spinor_field[3]); } for(i = 0; i < 3*LX/2+T/2; i++){ norm[i] = 0.; } for(x = 0; x < LX; x++){ if(x > LX/2) X = LX-x; else X = x; for(y = 0; y < LY; y++){ if(y > LY/2) Y = LY-y; else Y = y; for(z = 0; z < LZ; z++){ if(z > LZ/2) Z = LZ-z; else Z = z; for(t = 0; t < T; t++){ if(t > T/2) tt = T - t; else tt = t; sum = X + Y + Z + tt; _spinor_norm_sq(nrm, g_spinor_field[DUM_DERI+1][ g_ipt[t][x][y][z] ]); /* _spinor_norm_sq(nrm, qprop[0][0][1][ g_ipt[t][x][y][z] ]); */ printf("%e %e\n", g_spinor_field[DUM_DERI+1][ g_ipt[t][x][y][z] ].s0.c0.re, g_spinor_field[DUM_DERI+1][ g_ipt[t][x][y][z] ].s0.c0.im); nrm = sqrt( nrm ); printf("%1.12e\n", nrm); if(nrm > norm[sum]) norm[sum] = nrm; } } } } for(i = 0; i < 3*L/2+T/2; i++){ printf("%d %1.12e\n", i, norm[i]); } printf("\n"); nstore+=Nsave; } #ifdef MPI MPI_Finalize(); #endif free_gauge_field(); free_geometry_indices(); free_spinor_field(); free_moment_field(); return(0); #ifdef _KOJAK_INST #pragma pomp inst end(main) #endif }
int update_tm(double *plaquette_energy, double *rectangle_energy, char * filename, const int return_check, const int acctest, const int traj_counter) { su3 *v, *w; static int ini_g_tmp = 0; int accept, i=0, j=0, iostatus=0; double yy[1]; double dh, expmdh, ret_dh=0., ret_gauge_diff=0., tmp; double atime=0., etime=0.; double ks = 0., kc = 0., ds, tr, ts, tt; char tmp_filename[50]; /* Energy corresponding to the Gauge part */ double new_plaquette_energy=0., new_rectangle_energy = 0.; /* Energy corresponding to the Momenta part */ double enep=0., enepx=0., ret_enep = 0.; /* Energy corresponding to the pseudo fermion part(s) */ FILE * datafile=NULL, * ret_check_file=NULL; hamiltonian_field_t hf; paramsXlfInfo *xlfInfo; hf.gaugefield = g_gauge_field; hf.momenta = moment; hf.derivative = df0; hf.update_gauge_copy = g_update_gauge_copy; hf.update_gauge_energy = g_update_gauge_energy; hf.update_rectangle_energy = g_update_rectangle_energy; hf.traj_counter = traj_counter; integrator_set_fields(&hf); strcpy(tmp_filename, ".conf.tmp"); if(ini_g_tmp == 0) { ini_g_tmp = init_gauge_tmp(VOLUME); if(ini_g_tmp != 0) { exit(-1); } ini_g_tmp = 1; } atime = gettime(); /* * here the momentum and spinor fields are initialized * and their respective actions are calculated */ /* * copy the gauge field to gauge_tmp */ #ifdef OMP #pragma omp parallel for private(w,v) #endif for(int ix=0;ix<VOLUME;ix++) { for(int mu=0;mu<4;mu++) { v=&hf.gaugefield[ix][mu]; w=&gauge_tmp[ix][mu]; _su3_assign(*w,*v); } } /* heatbath for all monomials */ for(i = 0; i < Integrator.no_timescales; i++) { for(j = 0; j < Integrator.no_mnls_per_ts[i]; j++) { monomial_list[ Integrator.mnls_per_ts[i][j] ].hbfunction(Integrator.mnls_per_ts[i][j], &hf); } } if(Integrator.monitor_forces) monitor_forces(&hf); /* initialize the momenta */ enep = random_su3adj_field(reproduce_randomnumber_flag, hf.momenta); g_sloppy_precision = 1; /* run the trajectory */ if(Integrator.n_int[Integrator.no_timescales-1] > 0) { Integrator.integrate[Integrator.no_timescales-1](Integrator.tau, Integrator.no_timescales-1, 1); } g_sloppy_precision = 0; /* compute the final energy contributions for all monomials */ dh = 0.; for(i = 0; i < Integrator.no_timescales; i++) { for(j = 0; j < Integrator.no_mnls_per_ts[i]; j++) { dh += monomial_list[ Integrator.mnls_per_ts[i][j] ].accfunction(Integrator.mnls_per_ts[i][j], &hf); } } enepx = moment_energy(hf.momenta); if (!bc_flag) { /* if PBC */ new_plaquette_energy = measure_gauge_action( (const su3**) hf.gaugefield); if(g_rgi_C1 > 0. || g_rgi_C1 < 0.) { new_rectangle_energy = measure_rectangles( (const su3**) hf.gaugefield); } } if(g_proc_id == 0 && g_debug_level > 3) printf("called moment_energy: dh = %1.10e\n", (enepx - enep)); /* Compute the energy difference */ dh = dh + (enepx - enep); if(g_proc_id == 0 && g_debug_level > 3) { printf("called momenta_acc dH = %e\n", (enepx - enep)); } expmdh = exp(-dh); /* the random number is only taken at node zero and then distributed to the other sites */ ranlxd(yy,1); if(g_proc_id==0) { #ifdef MPI for(i = 1; i < g_nproc; i++) { MPI_Send(&yy[0], 1, MPI_DOUBLE, i, 31, MPI_COMM_WORLD); } #endif } #ifdef MPI else{ MPI_Recv(&yy[0], 1, MPI_DOUBLE, 0, 31, MPI_COMM_WORLD, &status); } #endif accept = (!acctest | (expmdh > yy[0])); if(g_proc_id == 0) { fprintf(stdout, "# Trajectory is %saccepted.\n", (accept ? "" : "not ")); } /* Here a reversibility test is performed */ /* The trajectory is integrated back */ if(return_check) { if(g_proc_id == 0) { fprintf(stdout, "# Performing reversibility check.\n"); } if(accept) { /* save gauge file to disk before performing reversibility check */ xlfInfo = construct_paramsXlfInfo((*plaquette_energy)/(6.*VOLUME*g_nproc), -1); // Should write this to temporary file first, and then check if(g_proc_id == 0 && g_debug_level > 0) { fprintf(stdout, "# Writing gauge field to file %s.\n", tmp_filename); } if((iostatus = write_gauge_field( tmp_filename, 64, xlfInfo) != 0 )) { /* Writing failed directly */ fprintf(stderr, "Error %d while writing gauge field to %s\nAborting...\n", iostatus, tmp_filename); exit(-2); } /* There is double writing of the gauge field, also in hmc_tm.c in this case */ /* No reading back check needed here, as reading back is done further down */ if(g_proc_id == 0 && g_debug_level > 0) { fprintf(stdout, "# Writing done.\n"); } free(xlfInfo); } g_sloppy_precision = 1; /* run the trajectory back */ Integrator.integrate[Integrator.no_timescales-1](-Integrator.tau, Integrator.no_timescales-1, 1); g_sloppy_precision = 0; /* compute the energy contributions from the pseudo-fermions */ ret_dh = 0.; for(i = 0; i < Integrator.no_timescales; i++) { for(j = 0; j < Integrator.no_mnls_per_ts[i]; j++) { ret_dh += monomial_list[ Integrator.mnls_per_ts[i][j] ].accfunction(Integrator.mnls_per_ts[i][j], &hf); } } ret_enep = moment_energy(hf.momenta); /* Compute the energy difference */ ret_dh += ret_enep - enep ; /* Compute Differences in the fields */ ks = 0.; kc = 0.; #ifdef OMP #pragma omp parallel private(w,v,tt,tr,ts,ds,ks,kc) { int thread_num = omp_get_thread_num(); #endif su3 ALIGN v0; #ifdef OMP #pragma omp for #endif for(int ix = 0; ix < VOLUME; ++ix) { for(int mu = 0; mu < 4; ++mu) { v=&hf.gaugefield[ix][mu]; w=&gauge_tmp[ix][mu]; _su3_minus_su3(v0, *v, *w); _su3_square_norm(ds, v0); tr = sqrt(ds) + kc; ts = tr + ks; tt = ts-ks; ks = ts; kc = tr-tt; } } kc=ks+kc; #ifdef OMP g_omp_acc_re[thread_num] = kc; } /* OpenMP parallel section closing brace */ /* sum up contributions from thread-local kahan summations */ for(int k = 0; k < omp_num_threads; ++k) ret_gauge_diff += g_omp_acc_re[k]; #else ret_gauge_diff = kc; #endif #ifdef MPI tmp = ret_gauge_diff; MPI_Reduce(&tmp, &ret_gauge_diff, 1, MPI_DOUBLE, MPI_SUM, 0, MPI_COMM_WORLD); #endif /* compute the total H */ tmp = enep; for(i = 0; i < Integrator.no_timescales; i++) { for(j = 0; j < Integrator.no_mnls_per_ts[i]; j++) { tmp += monomial_list[ Integrator.mnls_per_ts[i][j] ].energy0; } } /* Output */ if(g_proc_id == 0) { ret_check_file = fopen("return_check.data","a"); fprintf(ret_check_file,"ddh = %1.4e ddU= %1.4e ddh/H = %1.4e\n", ret_dh, ret_gauge_diff/4./((double)(VOLUME*g_nproc))/3., ret_dh/tmp); fclose(ret_check_file); } if(accept) { /* Read back gauge field */ if(g_proc_id == 0 && g_debug_level > 0) { fprintf(stdout, "# Trying to read gauge field from file %s.\n", tmp_filename); } if((iostatus = read_gauge_field(tmp_filename) != 0)) { fprintf(stderr, "Error %d while reading gauge field from %s\nAborting...\n", iostatus, tmp_filename); exit(-2); } if(g_proc_id == 0 && g_debug_level > 0) { fprintf(stdout, "# Reading done.\n"); } } if(g_proc_id == 0) { fprintf(stdout, "# Reversibility check done.\n"); } } /* end of reversibility check */ if(accept) { *plaquette_energy = new_plaquette_energy; *rectangle_energy = new_rectangle_energy; /* put the links back to SU(3) group */ if (!bc_flag) { /* periodic boundary conditions */ #ifdef OMP #pragma omp parallel for private(v) #endif for(int ix=0;ix<VOLUME;ix++) { for(int mu=0;mu<4;mu++) { v=&hf.gaugefield[ix][mu]; restoresu3_in_place(v); } } } } else { /* reject: copy gauge_tmp to hf.gaugefield */ #ifdef OMP #pragma omp parallel for private(w) private(v) #endif for(int ix=0;ix<VOLUME;ix++) { for(int mu=0;mu<4;mu++){ v=&hf.gaugefield[ix][mu]; w=&gauge_tmp[ix][mu]; _su3_assign(*v,*w); } } } hf.update_gauge_copy = 1; g_update_gauge_copy = 1; hf.update_gauge_energy = 1; g_update_gauge_energy = 1; hf.update_rectangle_energy = 1; g_update_rectangle_energy = 1; #ifdef MPI xchange_gauge(hf.gaugefield); #endif etime=gettime(); /* printing data in the .data file */ if(g_proc_id==0) { datafile = fopen(filename, "a"); if (!bc_flag) { /* if Periodic Boundary Conditions */ fprintf(datafile, "%.8d %14.12f %14.12f %e ", traj_counter, (*plaquette_energy)/(6.*VOLUME*g_nproc), dh, expmdh); } for(i = 0; i < Integrator.no_timescales; i++) { for(j = 0; j < Integrator.no_mnls_per_ts[i]; j++) { if(monomial_list[ Integrator.mnls_per_ts[i][j] ].type != GAUGE && monomial_list[ Integrator.mnls_per_ts[i][j] ].type != SFGAUGE && monomial_list[ Integrator.mnls_per_ts[i][j] ].type != NDPOLY && monomial_list[ Integrator.mnls_per_ts[i][j] ].type != NDCLOVER && monomial_list[ Integrator.mnls_per_ts[i][j] ].type != CLOVERNDTRLOG && monomial_list[ Integrator.mnls_per_ts[i][j] ].type != CLOVERTRLOG ) { fprintf(datafile,"%d %d ", monomial_list[ Integrator.mnls_per_ts[i][j] ].iter0, monomial_list[ Integrator.mnls_per_ts[i][j] ].iter1); } } } fprintf(datafile, "%d %e", accept, etime-atime); if(g_rgi_C1 > 0. || g_rgi_C1 < 0) { fprintf(datafile, " %e", (*rectangle_energy)/(12*VOLUME*g_nproc)); } fprintf(datafile, "\n"); fflush(datafile); fclose(datafile); } return(accept); }
int main(int argc, char *argv[]) { FILE *parameterfile = NULL; int c, j; char * filename = NULL; char datafilename[50]; char parameterfilename[50]; char conf_filename[50]; char * input_filename = NULL; char * xlfmessage = NULL; char * gaugelfn = NULL; char * gaugecksum = NULL; double plaquette_energy; #ifdef _KOJAK_INST #pragma pomp inst init #pragma pomp inst begin(main) #endif #ifdef HAVE_LIBLEMON MPI_File fh; LemonWriter *lemonWriter; paramsXlfInfo *xlfInfo; paramsPropagatorFormat *propagatorFormat; #endif #if (defined SSE || defined SSE2 || SSE3) signal(SIGILL, &catch_ill_inst); #endif DUM_DERI = 6; /* DUM_DERI + 2 is enough (not 7) */ DUM_SOLVER = DUM_DERI + 3; DUM_MATRIX = DUM_SOLVER + 8; /* DUM_MATRIX + 2 is enough (not 6) */ NO_OF_SPINORFIELDS = DUM_MATRIX + 2; verbose = 0; g_use_clover_flag = 0; #ifdef MPI MPI_Init(&argc, &argv); #endif while ((c = getopt(argc, argv, "h?f:o:")) != -1) { switch (c) { case 'f': input_filename = calloc(200, sizeof(char)); strcpy(input_filename, optarg); break; case 'o': filename = calloc(200, sizeof(char)); strcpy(filename, optarg); break; case 'h': case '?': default: usage(); break; } } if (input_filename == NULL) { input_filename = "hmc.input"; } if (filename == NULL) { filename = "output"; } /* Read the input file */ read_input(input_filename); if (solver_flag == 12 && even_odd_flag == 1) { even_odd_flag = 0; if (g_proc_id == 0) { fprintf(stderr, "CGMMS works only without even/odd! Forcing!\n"); } } /* this DBW2 stuff is not needed for the inversion ! */ if (g_dflgcr_flag == 1) { even_odd_flag = 0; } g_rgi_C1 = 0; if (Nsave == 0) { Nsave = 1; } if(g_running_phmc) { NO_OF_SPINORFIELDS = DUM_MATRIX + 8; } mpi_init(argc, argv); g_dbw2rand = 0; /* starts the single and double precision random number */ /* generator */ start_ranlux(rlxd_level, random_seed); #ifndef MPI g_dbw2rand = 0; #endif #ifdef _GAUGE_COPY j = init_gauge_field(VOLUMEPLUSRAND, 1); #else j = init_gauge_field(VOLUMEPLUSRAND, 0); #endif if(j != 0) { fprintf(stderr, "Not enough memory for gauge_fields! Aborting...\n"); exit(-1); } j = init_geometry_indices(VOLUMEPLUSRAND); if(j != 0) { fprintf(stderr, "Not enough memory for geometry indices! Aborting...\n"); exit(-1); } if(no_monomials > 0) { if(even_odd_flag) { j = init_monomials(VOLUMEPLUSRAND / 2, even_odd_flag); } else { j = init_monomials(VOLUMEPLUSRAND, even_odd_flag); } if(j != 0) { fprintf(stderr, "Not enough memory for monomial pseudo fermion fields! Aborting...\n"); exit(0); } } if(even_odd_flag) { j = init_spinor_field(VOLUMEPLUSRAND / 2, NO_OF_SPINORFIELDS); } else { j = init_spinor_field(VOLUMEPLUSRAND, NO_OF_SPINORFIELDS); } if(j != 0) { fprintf(stderr, "Not enough memory for spinor fields! Aborting...\n"); exit(-1); } if(g_running_phmc) { j = init_chi_up_spinor_field(VOLUMEPLUSRAND / 2, 20); if(j != 0) { fprintf(stderr, "Not enough memory for PHMC Chi_up fields! Aborting...\n"); exit(0); } j = init_chi_dn_spinor_field(VOLUMEPLUSRAND / 2, 20); if(j != 0) { fprintf(stderr, "Not enough memory for PHMC Chi_dn fields! Aborting...\n"); exit(0); } } g_mu = g_mu1; if(g_proc_id == 0) { /*construct the filenames for the observables and the parameters*/ strcpy(datafilename, filename); strcat(datafilename, ".data"); strcpy(parameterfilename, filename); strcat(parameterfilename, ".para"); parameterfile = fopen(parameterfilename, "w"); write_first_messages(parameterfile, 1); fclose(parameterfile); } /* this is for the extra masses of the CGMMS */ if (solver_flag == 12 && g_no_extra_masses > 0) { if ((parameterfile = fopen("extra_masses.input", "r")) != NULL) { for (j = 0; j < g_no_extra_masses; j++) { fscanf(parameterfile, "%lf", &g_extra_masses[j]); if (g_proc_id == 0 && g_debug_level > 0) { printf("# g_extra_masses[%d] = %lf\n", j, g_extra_masses[j]); } } fclose(parameterfile); } else { fprintf(stderr, "Could not open file extra_masses.input!\n"); g_no_extra_masses = 0; } } /* define the geometry */ geometry(); /* define the boundary conditions for the fermion fields */ boundary(g_kappa); phmc_invmaxev = 1.; #ifdef _USE_HALFSPINOR j = init_dirac_halfspinor(); if (j != 0) { fprintf(stderr, "Not enough memory for halffield! Aborting...\n"); exit(-1); } if (g_sloppy_precision_flag == 1) { j = init_dirac_halfspinor32(); if (j != 0) { fprintf(stderr, "Not enough memory for 32-Bit halffield! Aborting...\n"); exit(-1); } } # if (defined _PERSISTENT) if (even_odd_flag) { init_xchange_halffield(); } # endif #endif for (j = 0; j < Nmeas; j++) { sprintf(conf_filename, "%s.%.4d", gauge_input_filename, nstore); if (g_proc_id == 0) { printf("Reading Gauge field from file %s\n", conf_filename); fflush(stdout); } #ifdef HAVE_LIBLEMON read_lemon_gauge_field_parallel(conf_filename, &gaugecksum, &xlfmessage, &gaugelfn); #else /* HAVE_LIBLEMON */ if (xlfmessage != (char*)NULL) free(xlfmessage); if (gaugelfn != (char*)NULL) free(gaugelfn); if (gaugecksum != (char*)NULL) free(gaugecksum); read_lime_gauge_field(conf_filename); xlfmessage = read_message(conf_filename, "xlf-info"); gaugelfn = read_message(conf_filename, "ildg-data-lfn"); gaugecksum = read_message(conf_filename, "scidac-checksum"); printf("%s \n", gaugecksum); #endif /* HAVE_LIBLEMON */ if (g_proc_id == 0) { printf("done!\n"); fflush(stdout); } /* unit_g_gauge_field(); */ #ifdef MPI xchange_gauge(g_gauge_field); #endif /*compute the energy of the gauge field*/ plaquette_energy = measure_gauge_action(); if (g_proc_id == 0) { printf("The plaquette value is %e\n", plaquette_energy / (6.*VOLUME*g_nproc)); fflush(stdout); } if (use_stout_flag == 1) { if (stout_smear_gauge_field(stout_rho , stout_no_iter) != 0) { exit(1) ; } plaquette_energy = measure_gauge_action(); if (g_proc_id == 0) { printf("The plaquette value after stouting is %e\n", plaquette_energy / (6.*VOLUME*g_nproc)); fflush(stdout); } } /* Compute minimal eigenvalues, necessary for overlap! */ if (compute_evs != 0) eigenvalues(&no_eigenvalues, max_solver_iterations, eigenvalue_precision, 0, compute_evs, nstore, even_odd_flag); else { compute_evs = 1; no_eigenvalues = 1; eigenvalues(&no_eigenvalues, max_solver_iterations, eigenvalue_precision, 0, compute_evs, nstore, even_odd_flag); no_eigenvalues = 0; compute_evs = 0; } if (phmc_compute_evs != 0) { #ifdef MPI MPI_Finalize(); #endif return (0); } /* here we can do something */ ov_n_cheby = (-log(delta))/(2*sqrt(ev_minev)); printf("// Degree of cheby polynomial: %d\n", ov_n_cheby); // g_mu = 0.; ov_check_locality(); // ov_check_ginsparg_wilson_relation_strong(); // ov_compare_4x4("overlap.mat"); // ov_compare_12x12("overlap.mat"); // ov_save_12x12("overlap.mat"); // ov_check_operator(1,0,0,0); nstore += Nsave; } #ifdef MPI MPI_Finalize(); #endif free_blocks(); free_dfl_subspace(); free_gauge_field(); free_geometry_indices(); free_spinor_field(); free_moment_field(); if (g_running_phmc) { free_chi_up_spinor_field(); free_chi_dn_spinor_field(); } return(0); #ifdef _KOJAK_INST #pragma pomp inst end(main) #endif }
int invert_doublet_eo(spinor * const Even_new_s, spinor * const Odd_new_s, spinor * const Even_new_c, spinor * const Odd_new_c, spinor * const Even_s, spinor * const Odd_s, spinor * const Even_c, spinor * const Odd_c, const double precision, const int max_iter, const int solver_flag, const int rel_prec) { int iter = 0; #ifdef HAVE_GPU #ifdef TEMPORALGAUGE /* initialize temporal gauge here */ int retval; double dret1, dret2; double plaquette1 = 0.0; double plaquette2 = 0.0; if (usegpu_flag) { /* need VOLUME here (not N=VOLUME/2)*/ if ((retval = init_temporalgauge_trafo(VOLUME, g_gauge_field)) != 0 ) { // initializes the transformation matrices if (g_proc_id == 0) printf("Error while gauge fixing to temporal gauge. Aborting...\n"); // g_tempgauge_field as a copy of g_gauge_field exit(200); } /* do trafo */ plaquette1 = measure_gauge_action(); apply_gtrafo(g_gauge_field, g_trafo); // transformation of the gauge field plaquette2 = measure_gauge_action(); if (g_proc_id == 0) printf("\tPlaquette before gauge fixing: %.16e\n", plaquette1/6./VOLUME); if (g_proc_id == 0) printf("\tPlaquette after gauge fixing: %.16e\n", plaquette2/6./VOLUME); /* do trafo to odd_s part of source */ dret1 = square_norm(Odd_s, VOLUME/2 , 1); apply_gtrafo_spinor_odd(Odd_s, g_trafo); // odd spinor transformation, strange dret2 = square_norm(Odd_s, VOLUME/2, 1); if (g_proc_id == 0) printf("\tsquare norm before gauge fixing: %.16e\n", dret1); if (g_proc_id == 0) printf("\tsquare norm after gauge fixing: %.16e\n", dret2); /* do trafo to odd_c part of source */ dret1 = square_norm(Odd_c, VOLUME/2 , 1); apply_gtrafo_spinor_odd(Odd_c, g_trafo); // odd spinor transformation, charm dret2 = square_norm(Odd_c, VOLUME/2, 1); if (g_proc_id == 0) printf("\tsquare norm before gauge fixing: %.16e\n", dret1); if (g_proc_id == 0) printf("\tsquare norm after gauge fixing: %.16e\n", dret2); /* do trafo to even_s part of source */ dret1 = square_norm(Even_s, VOLUME/2 , 1); apply_gtrafo_spinor_even(Even_s, g_trafo); // even spinor transformation, strange dret2 = square_norm(Even_s, VOLUME/2, 1); if (g_proc_id == 0) printf("\tsquare norm before gauge fixing: %.16e\n", dret1); if (g_proc_id == 0) printf("\tsquare norm after gauge fixing: %.16e\n", dret2); /* do trafo to even_c part of source */ dret1 = square_norm(Even_c, VOLUME/2 , 1); apply_gtrafo_spinor_even(Even_c, g_trafo); // even spinor transformation, charm dret2 = square_norm(Even_c, VOLUME/2, 1); if (g_proc_id == 0) printf("\tsquare norm before gauge fixing: %.16e\n", dret1); if (g_proc_id == 0) printf("\tsquare norm after gauge fixing: %.16e\n", dret2); #ifdef MPI xchange_gauge(); #endif } #endif #endif /* HAVE_GPU*/ /* here comes the inversion using even/odd preconditioning */ if(g_proc_id == 0) {printf("# Using even/odd preconditioning!\n"); fflush(stdout);} M_ee_inv_ND(Even_new_s, Even_new_c, Even_s, Even_c); Hopping_Matrix(OE, g_spinor_field[DUM_DERI], Even_new_s); Hopping_Matrix(OE, g_spinor_field[DUM_DERI+1], Even_new_c); /* The sign is plus, since in Hopping_Matrix */ /* the minus is missing */ assign_mul_add_r(g_spinor_field[DUM_DERI], +1., Odd_s, VOLUME/2); assign_mul_add_r(g_spinor_field[DUM_DERI+1], +1., Odd_c, VOLUME/2); /* Do the inversion with the preconditioned */ /* matrix to get the odd sites */ /* Here we invert the hermitean operator squared */ if(g_proc_id == 0) { printf("# Using CG for TMWILSON flavour doublet!\n"); fflush(stdout); } gamma5(g_spinor_field[DUM_DERI], g_spinor_field[DUM_DERI], VOLUME/2); gamma5(g_spinor_field[DUM_DERI+1], g_spinor_field[DUM_DERI+1], VOLUME/2); #ifdef HAVE_GPU if (usegpu_flag) { // GPU, mixed precision solver #if defined(MPI) && defined(PARALLELT) iter = mixedsolve_eo_nd(Odd_new_s, Odd_new_c, g_spinor_field[DUM_DERI], g_spinor_field[DUM_DERI+1], max_iter, precision, rel_prec); #elif !defined(MPI) && !defined(PARALLELT) iter = mixedsolve_eo_nd(Odd_new_s, Odd_new_c, g_spinor_field[DUM_DERI], g_spinor_field[DUM_DERI+1], max_iter, precision, rel_prec); #else printf("MPI and/or PARALLELT are not appropriately set for the GPU implementation. Aborting...\n"); exit(-1); #endif } else { // CPU, conjugate gradient iter = cg_her_nd(Odd_new_s, Odd_new_c, g_spinor_field[DUM_DERI], g_spinor_field[DUM_DERI+1], max_iter, precision, rel_prec, VOLUME/2, &Q_Qdagger_ND); } #else // CPU, conjugate gradient iter = cg_her_nd(Odd_new_s, Odd_new_c, g_spinor_field[DUM_DERI], g_spinor_field[DUM_DERI+1], max_iter, precision, rel_prec, VOLUME/2, &Q_Qdagger_ND); #endif QdaggerNon_degenerate(Odd_new_s, Odd_new_c, Odd_new_s, Odd_new_c); /* Reconstruct the even sites */ Hopping_Matrix(EO, g_spinor_field[DUM_DERI], Odd_new_s); Hopping_Matrix(EO, g_spinor_field[DUM_DERI+1], Odd_new_c); M_ee_inv_ND(g_spinor_field[DUM_DERI+2], g_spinor_field[DUM_DERI+3], g_spinor_field[DUM_DERI], g_spinor_field[DUM_DERI+1]); /* The sign is plus, since in Hopping_Matrix */ /* the minus is missing */ assign_add_mul_r(Even_new_s, g_spinor_field[DUM_DERI+2], +1., VOLUME/2); assign_add_mul_r(Even_new_c, g_spinor_field[DUM_DERI+3], +1., VOLUME/2); #ifdef HAVE_GPU /* return from temporal gauge again */ #ifdef TEMPORALGAUGE if (usegpu_flag) { /* undo trafo */ /* apply_inv_gtrafo(g_gauge_field, g_trafo);*/ /* copy back the saved original field located in g_tempgauge_field -> update necessary*/ plaquette1 = measure_gauge_action(); copy_gauge_field(g_gauge_field, g_tempgauge_field); g_update_gauge_copy = 1; plaquette2 = measure_gauge_action(); if (g_proc_id == 0) printf("\tPlaquette before inverse gauge fixing: %.16e\n", plaquette1/6./VOLUME); if (g_proc_id == 0) printf("\tPlaquette after inverse gauge fixing: %.16e\n", plaquette2/6./VOLUME); /* undo trafo to source Even_s */ dret1 = square_norm(Even_s, VOLUME/2 , 1); apply_inv_gtrafo_spinor_even(Even_s, g_trafo); dret2 = square_norm(Even_s, VOLUME/2, 1); if (g_proc_id == 0) printf("\tsquare norm before gauge fixing: %.16e\n", dret1); if (g_proc_id == 0) printf("\tsquare norm after gauge fixing: %.16e\n", dret2); /* undo trafo to source Even_c */ dret1 = square_norm(Even_c, VOLUME/2 , 1); apply_inv_gtrafo_spinor_even(Even_c, g_trafo); dret2 = square_norm(Even_c, VOLUME/2, 1); if (g_proc_id == 0) printf("\tsquare norm before gauge fixing: %.16e\n", dret1); if (g_proc_id == 0) printf("\tsquare norm after gauge fixing: %.16e\n", dret2); /* undo trafo to source Odd_s */ dret1 = square_norm(Odd_s, VOLUME/2 , 1); apply_inv_gtrafo_spinor_odd(Odd_s, g_trafo); dret2 = square_norm(Odd_s, VOLUME/2, 1); if (g_proc_id == 0) printf("\tsquare norm before gauge fixing: %.16e\n", dret1); if (g_proc_id == 0) printf("\tsquare norm after gauge fixing: %.16e\n", dret2); /* undo trafo to source Odd_c */ dret1 = square_norm(Odd_c, VOLUME/2 , 1); apply_inv_gtrafo_spinor_odd(Odd_c, g_trafo); dret2 = square_norm(Odd_c, VOLUME/2, 1); if (g_proc_id == 0) printf("\tsquare norm before gauge fixing: %.16e\n", dret1); if (g_proc_id == 0) printf("\tsquare norm after gauge fixing: %.16e\n", dret2); // Even_new_s dret1 = square_norm(Even_new_s, VOLUME/2 , 1); apply_inv_gtrafo_spinor_even(Even_new_s, g_trafo); dret2 = square_norm(Even_new_s, VOLUME/2, 1); if (g_proc_id == 0) printf("\tsquare norm before gauge fixing: %.16e\n", dret1); if (g_proc_id == 0) printf("\tsquare norm after gauge fixing: %.16e\n", dret2); // Even_new_c dret1 = square_norm(Even_new_c, VOLUME/2 , 1); apply_inv_gtrafo_spinor_even(Even_new_c, g_trafo); dret2 = square_norm(Even_new_c, VOLUME/2, 1); if (g_proc_id == 0) printf("\tsquare norm before gauge fixing: %.16e\n", dret1); if (g_proc_id == 0) printf("\tsquare norm after gauge fixing: %.16e\n", dret2); // Odd_new_s dret1 = square_norm(Odd_new_s, VOLUME/2 , 1); apply_inv_gtrafo_spinor_odd(Odd_new_s, g_trafo); dret2 = square_norm(Odd_new_s, VOLUME/2, 1); if (g_proc_id == 0) printf("\tsquare norm before gauge fixing: %.16e\n", dret1); if (g_proc_id == 0) printf("\tsquare norm after gauge fixing: %.16e\n", dret2); // Odd_new_c dret1 = square_norm(Odd_new_c, VOLUME/2 , 1); apply_inv_gtrafo_spinor_odd(Odd_new_c, g_trafo); dret2 = square_norm(Odd_new_c, VOLUME/2, 1); if (g_proc_id == 0) printf("\tsquare norm before gauge fixing: %.16e\n", dret1); if (g_proc_id == 0) printf("\tsquare norm after gauge fixing: %.16e\n", dret2); finalize_temporalgauge(); #ifdef MPI xchange_gauge(); #endif } #endif #endif return(iter); }