started wolff code in new repository

3 files changed, 509 insertions, 0 deletions

diff --git a/src/pt_wolff.c b/src/pt_wolff.c
new file mode 100644
index 0000000..128b601
--- /dev/null
+++ b/src/pt_wolff.c
@@ -0,0 +1,317 @@
+
+#include "wolff.h"
+
+#define TC 2. / log(1. + sqrt(2.))
+
+int main(int argc, char *argv[]) {
+	int opt;
+	bool use_scho, use_rand_ini;
+	lattice_t lat;
+	uint16_t L;
+	uint32_t n_temps;
+	uint64_t N;
+	double Tin, Hin, eps, dT, dH;
+
+	L = 128;
+	N = 1000;
+	lat = SQUARE_LATTICE;
+	Tin = 2.3;
+	Hin = 0;
+	eps = 1e30;
+	use_scho = false;
+	use_rand_ini = false;
+	dT = 0;
+	dH = 1;
+	n_temps = 1;
+
+	while ((opt = getopt(argc, argv, "N:L:q:T:H:e:St:h:n:r")) != -1) {
+		switch (opt) {
+			case 'S':
+				use_scho = true;
+				break;
+			case 'r':
+				use_rand_ini = true;
+				break;
+			case 'N':
+				N = (uint64_t)atof(optarg);
+				break;
+			case 'L':
+				L = atoi(optarg);
+				break;
+			case 'T':
+				Tin = atof(optarg);
+				break;
+			case 'H':
+				Hin = atof(optarg);
+				break;
+			case 't':
+				dT = atof(optarg);
+				break;
+			case 'h':
+				dH = atof(optarg);
+				break;
+			case 'n':
+				n_temps = atoi(optarg);
+				break;
+			case 'e':
+				eps= atof(optarg);
+				break;
+			default:
+				exit(EXIT_FAILURE);
+		}
+	}
+
+	gsl_rng *r = gsl_rng_alloc(gsl_rng_mt19937);
+	gsl_rng_set(r, jst_rand_seed());
+
+	graph_t *g = graph_create(lat, TORUS_BOUND, L, false);
+
+	double *Ts = (double *)malloc(n_temps * sizeof(double));
+	double *Hs = (double *)malloc(n_temps * sizeof(double));
+	double *Tins = (double *)malloc(n_temps * sizeof(double));
+	double *Hins = (double *)malloc(n_temps * sizeof(double));
+
+	for (uint32_t i = 0; i < n_temps; i++) {
+		double T, H;
+
+		// if Schofield coordinates are used, T and H are treated as R and theta.
+		if (use_scho) {
+			double R = Tin; double th = Hin;
+			double t = R * (1 - pow(th, 2));
+			T = TC / (1 - t);
+			double h0 = 0.940647;
+			double h = h0 * pow(R, 15. / 8.) * hh(th);
+			H = h * T;
+		} else {
+			T = Tin;
+			H = Hin;
+		}
+
+		Tins[i] = Tin;
+		Hins[i] = Hin;
+
+		Ts[i] = T;
+		Hs[i] = H;
+
+		Tin += dT;
+		if (use_scho) {
+			Hin = 1.08144 - (1.08144 - Hin) / dH;
+		} else {
+			Hin = Hin / dH;
+		}
+	}
+
+	bool **xs = (bool **)malloc(n_temps * sizeof(bool *));
+	for (uint32_t i = 0; i < n_temps; i++) {
+		xs[i] = (bool *)calloc(g->nv, sizeof(bool));
+	}
+
+	if (use_rand_ini) {
+		for (uint32_t j = 0; j < n_temps; j++) {
+			for (uint32_t i = 0; i < g->nv; i++) {
+				xs[j][i] = gsl_rng_uniform_int(r, 2);
+			}
+		}
+	}
+
+	int32_t *Ms = (int32_t *)calloc(n_temps, sizeof(int32_t));
+	for (uint32_t j = 0; j < n_temps; j++) {
+		if (use_rand_ini) {
+			for (uint32_t i = 0; i < g->nv; i++) {
+				if (xs[j][i]) {
+					Ms[j]++;
+				} else {
+					Ms[j]--;
+				}
+			}
+		} else {
+			Ms[j] = -g->nv;
+		}
+	}
+
+	double *Es = (double *)malloc(n_temps * sizeof(double));
+	for (uint32_t i = 0; i < n_temps; i++) {
+		Es[i] = get_hamiltonian(g, Hs[i], xs[i]);
+	}
+
+	double *ps = (double *)malloc(n_temps * sizeof(double));
+	for (uint32_t i = 0; i < n_temps; i++) {
+		ps[i] = 1 - exp(-2 / Ts[i]);
+	}
+
+	double *E1s = (double *)calloc(n_temps, sizeof(double));
+	double *E2s = (double *)calloc(n_temps, sizeof(double));
+	double *E4s = (double *)calloc(n_temps, sizeof(double));
+
+	double *M1s = (double *)calloc(n_temps, sizeof(double));
+	double *M2s = (double *)calloc(n_temps, sizeof(double));
+	double *M4s = (double *)calloc(n_temps, sizeof(double));
+
+	double *tE1s = (double *)calloc(n_temps, sizeof(double));
+	double *tE2s = (double *)calloc(n_temps, sizeof(double));
+	double *tE4s = (double *)calloc(n_temps, sizeof(double));
+
+	double *tM1s = (double *)calloc(n_temps, sizeof(double));
+	double *tM2s = (double *)calloc(n_temps, sizeof(double));
+	double *tM4s = (double *)calloc(n_temps, sizeof(double));
+
+	uint64_t n_runs = 0;
+
+	double diff = 1e30;
+
+	printf("\n");
+	while (diff > eps) {
+		printf("\033[F\033[JWOLFF: sweep %llu, %g\n", n_runs, diff);
+
+		for (uint32_t j = 0; j < n_temps; j++) {
+			tE1s[j] = 0;
+			tE2s[j] = 0;
+			tE4s[j] = 0;
+			tM1s[j] = 0;
+			tM2s[j] = 0;
+			tM4s[j] = 0;
+		}
+
+		for (uint64_t i = 0; i < N; i++) {
+#pragma omp parallel for
+			for (uint32_t j = 0; j < n_temps; j++) {
+				cluster_t *c = get_cluster(g, xs[j], ps[j], r);
+				double dHex = 0;
+				double s;
+
+				if (xs[j][c->vi->x]) {
+					s = 1;
+				} else {
+					s = -1;
+				}
+
+				dHex = s * Hs[j] * c->nv;
+
+				if (gsl_rng_uniform(r) < exp(-2 * dHex / Ts[j])) {
+					while (c->vi != NULL) {
+						uint32_t v = queue_del(&(c->vi));
+						xs[j][v] = !xs[j][v];
+					}
+					Es[j] += 2 * c->nb + dHex;
+					Ms[j] -= 2 * s * c->nv;
+				} else {
+					while (c->vi != NULL) {
+						queue_del(&(c->vi));
+					}
+				}
+
+				tE1s[j] += Es[j];
+				tM1s[j] += abs(Ms[j]);
+				tE2s[j] += pow(Es[j], 2);
+				tM2s[j] += pow(Ms[j], 2);
+				tE4s[j] += pow(Es[j], 4);
+				tM4s[j] += pow(Ms[j], 4);
+
+				free(c);
+			}
+
+			for (uint32_t j = 0; j < n_temps - 1; j++) {
+				if (gsl_rng_uniform(r) < 0.5) {
+					if (gsl_rng_uniform(r) < exp((Es[j + 1] - Es[j]) * (1 / Ts[j + 1] - 1 / Ts[j]))) {
+						bool *tmp_x = xs[j];
+						double tmp_E = Es[j];
+						int32_t tmp_M = Ms[j];
+
+						xs[j] = xs[j + 1];
+						xs[j + 1] = tmp_x;
+
+						Es[j] = Es[j + 1];
+						Es[j + 1] = tmp_E;
+
+						Ms[j] = Ms[j + 1];
+						Ms[j + 1] = tmp_M;
+					}
+				}
+			}
+		}
+
+		for (uint32_t j = 0; j < n_temps; j++) {
+			tE1s[j] /= N;
+			tM1s[j] /= N;
+			tE2s[j] /= N;
+			tM2s[j] /= N;
+			tE4s[j] /= N;
+			tM4s[j] /= N;
+
+			if (n_runs > 0) {
+				E1s[j] = E1s[j] * ((n_runs - 1.) / n_runs) + tE1s[j] * 1. / n_runs;
+				M1s[j] = M1s[j] * ((n_runs - 1.) / n_runs) + tM1s[j] * 1. / n_runs;
+				E2s[j] = E2s[j] * ((n_runs - 1.) / n_runs) + tE2s[j] * 1. / n_runs;
+				M2s[j] = M2s[j] * ((n_runs - 1.) / n_runs) + tM2s[j] * 1. / n_runs;
+				E4s[j] = E4s[j] * ((n_runs - 1.) / n_runs) + tE4s[j] * 1. / n_runs;
+				M4s[j] = M4s[j] * ((n_runs - 1.) / n_runs) + tM4s[j] * 1. / n_runs;
+			}
+		}
+
+		if (n_runs > 0) {
+			diff = 0;
+			for (uint32_t j = 0; j < n_temps; j++) {
+				double dd = sqrt(M2s[j] - pow(M1s[j], 2)) / sqrt(N * n_runs);
+				double t_diff = dd / M1s[j];
+				if (t_diff > diff) diff = t_diff;
+			}
+		} else {
+			diff = 1e30;
+		}
+
+		n_runs++;
+	}
+
+	FILE *outfile = fopen("out.dat", "a");
+
+	for (uint32_t j = 0; j < n_temps; j++) {
+		double C = (E2s[j] - pow(E1s[j], 2)) / pow(Ts[j], 2);
+		double X = (M2s[j] - pow(M1s[j], 2)) / Ts[j];
+
+		double dE1 = sqrt(E2s[j] - pow(E1s[j], 2)) / sqrt(N * n_runs);
+		double dM1 = sqrt(M2s[j] - pow(M1s[j], 2)) / sqrt(N * n_runs);
+		double dE2 = sqrt(E4s[j] - pow(E2s[j], 2)) / sqrt(N * n_runs);
+		double dM2 = sqrt(M4s[j] - pow(M2s[j], 2)) / sqrt(N * n_runs);
+
+		double dC = sqrt(pow(dE2, 2) + pow(2 * E1s[j] * dE1, 2)) / pow(Ts[j], 2);
+		double dX = sqrt(pow(dM2, 2) + pow(2 * M1s[j] * dM1, 2)) / Ts[j];
+
+		fprintf(outfile, "%u %u %.15f %.15f %.15f %.15f %.15f %.15f %.15f %.15f %.15f %.15f\n", L, use_scho, Tins[j], Hins[j], E1s[j] / g->nv, dE1 / g->nv, M1s[j] / g->nv, dM1 / g->nv, C / g->nv, dC / g->nv, X / g->nv, dX / g->nv);
+	}
+
+	fclose(outfile);
+
+	for (uint32_t i = 0; i < n_temps; i++) {
+		free(xs[i]);
+	}
+
+	free(xs);
+
+	gsl_rng_free(r);
+	graph_free(g);
+
+	free(Ts);
+	free(Hs);
+	free(Es);
+	free(Ms);
+
+	free(E1s);
+	free(E2s);
+	free(E4s);
+
+	free(M1s);
+	free(M2s);
+	free(M4s);
+
+	free(tE1s);
+	free(tE2s);
+	free(tE4s);
+
+	free(tM1s);
+	free(tM2s);
+	free(tM4s);
+
+
+	return 0;
+}
+
diff --git a/src/wolff.c b/src/wolff.c
new file mode 100644
index 0000000..80f8278
--- /dev/null
+++ b/src/wolff.c
@@ -0,0 +1,140 @@
+
+#include "wolff.h"
+
+int main(int argc, char *argv[]) {
+  int opt;
+  bool output_state;
+  lattice_t lat;
+  uint16_t L;
+  uint32_t min_runs;
+  uint64_t N;
+  double T, H, eps;
+
+  L = 128;
+  N = 1000;
+  lat = SQUARE_LATTICE;
+  T = 2.3;
+  H = 0;
+  eps = 1e30;
+  output_state = false;
+  min_runs = 10;
+
+  while ((opt = getopt(argc, argv, "N:L:T:H:m:e:o")) != -1) {
+    switch (opt) {
+      case 'N':
+        N = (uint64_t)atof(optarg);
+        break;
+      case 'L':
+        L = atoi(optarg);
+        break;
+      case 'T':
+        T = atof(optarg);
+        break;
+      case 'H':
+        H = atof(optarg);
+        break;
+      case 'm':
+        min_runs = atoi(optarg);
+        break;
+      case 'e':
+        eps= atof(optarg);
+        break;
+      case 'o':
+        output_state = true;
+        break;
+      default:
+        exit(EXIT_FAILURE);
+    }
+  }
+
+  gsl_rng *r = gsl_rng_alloc(gsl_rng_mt19937);
+  gsl_rng_set(r, jst_rand_seed());
+
+  graph_t *h = graph_create(lat, TORUS_BOUND, L, false);
+
+  ising_state_t *s = (ising_state_t *)calloc(1, sizeof(ising_state_t));
+
+  s->g = graph_add_ext(h);
+  s->spins = (bool *)calloc(h->nv + 1, sizeof(bool));
+  s->M = -h->nv;
+  s->H = -(1.0 * h->ne) - H * h->nv;
+
+  double *bond_probs = get_bond_probs(T, H, s);
+
+  double diff = 1e31;
+  uint64_t n_runs = 0;
+
+  double E1, E2, dE1, M1, M2, dM1, C, dC, X, dX, Mmu2, Mmu4, Emu2, Emu4;
+  double clust_per_sweep = 0;
+
+  E1 = 0; E2 = 0; M1 = 0; M2 = 0; C = 0; dC = 0; X = 0; dX = 0;
+  dE1 = 0; dM1 = 0; Mmu2 = 0; Mmu4 = 0; Emu2 = 0; Emu4 = 0;
+
+  printf("\n");
+  while (diff > eps || diff == 0. || diff != diff || n_runs < min_runs) {
+    printf("\033[F\033[JWOLFF: sweep %llu, dH/H = %.4f, dM/M = %.4f, dC/C = %.4f, dX/X = %.4f, cps: %.1f\n", n_runs, fabs(dE1 / E1), dM1 / M1, dC / C, dX / X, clust_per_sweep);
+
+    uint32_t n_flips = 0;
+    uint32_t n_clust = 0;
+
+    while (n_flips / h->nv < N) {
+      n_flips += abs(wolff_step(T, H, s, r, bond_probs));
+      n_clust++;
+    }
+
+    E1 = E1 * (n_runs / (n_runs + 1.)) + s->H * 1. / (n_runs + 1.);
+    M1 = M1 * (n_runs / (n_runs + 1.)) + abs(s->M) * 1. / (n_runs + 1.);
+    E2 = E2 * (n_runs / (n_runs + 1.)) + pow(s->H, 2) * 1. / (n_runs + 1.);
+    M2 = M2 * (n_runs / (n_runs + 1.)) + pow(s->M, 2) * 1. / (n_runs + 1.);
+
+    Mmu2 = Mmu2 * (n_runs / (n_runs + 1.)) + pow(abs(s->M) - M1, 2) * 1. / (n_runs + 1.);
+    Mmu4 = Mmu4 * (n_runs / (n_runs + 1.)) + pow(abs(s->M) - M1, 4) * 1. / (n_runs + 1.);
+    Emu2 = Emu2 * (n_runs / (n_runs + 1.)) + pow(s->H - E1, 2) * 1. / (n_runs + 1.);
+    Emu4 = Emu4 * (n_runs / (n_runs + 1.)) + pow(s->H - E1, 4) * 1. / (n_runs + 1.);
+
+    if (n_runs > 1){
+      double Msigma2 = n_runs / (n_runs - 1) * (M2 - pow(M1, 2));
+      X = Msigma2 / T;
+      dX = sqrt((Mmu4 - (n_runs - 3.) / (n_runs - 1.) * pow(Mmu2, 2)) / n_runs) / T;
+
+      double Esigma2 = n_runs / (n_runs - 1) * (E2 - pow(E1, 2));
+      C = Esigma2 / T;
+      dC = sqrt((Emu4 - (n_runs - 3.) / (n_runs - 1.) * pow(Emu2, 2)) / n_runs) / T;
+
+      dE1 = sqrt(Esigma2 / n_runs);
+      dM1 = sqrt(Msigma2 / n_runs);
+
+      diff = fabs(dX / X);
+    }
+
+    clust_per_sweep = clust_per_sweep * (n_runs / (n_runs + 1.)) + (n_clust * 1. / N) * 1. / (n_runs + 1.);
+
+    n_runs++;
+  }
+  printf("\033[F\033[JWOLFF: sweep %llu, dH/H = %.4f, dM/M = %.4f, dC/C = %.4f, dX/X = %.4f, cps: %.1f\n", n_runs, fabs(dE1 / E1), dM1 / M1, dC / C, dX / X, clust_per_sweep);
+
+  FILE *outfile = fopen("out.dat", "a");
+  fprintf(outfile, "%u %.15f %.15f %.15f %.15f %.15f %.15f %.15f %.15f %.15f %.15f\n", L, T, H, E1 / h->nv, dE1 / h->nv, M1 / h->nv, dM1 / h->nv, C / h->nv, dC / h->nv, X / h->nv, dX / h->nv);
+  fclose(outfile);
+
+  free(bond_probs);
+
+  if (output_state) {
+    FILE *state_file = fopen("state.dat", "a");
+    for (uint32_t i = 0; i < h->nv; i++) {
+      fprintf(state_file, "%d ", s->spins[i]);
+    }
+    fprintf(state_file, "\n");
+    fclose(state_file);
+  }
+
+  gsl_rng_free(r);
+  graph_free(s->g);
+  free(s->spins);
+  free(s);
+  free(bond_probs);
+  graph_free(h);
+
+  return 0;
+}
+
diff --git a/src/wolff.h b/src/wolff.h
new file mode 100644
index 0000000..9619a4d
--- /dev/null
+++ b/src/wolff.h
@@ -0,0 +1,52 @@
+
+#include <string.h>
+#include <math.h>
+#include <getopt.h>
+#include <float.h>
+#include <sys/types.h>
+#include <inttypes.h>
+#include <gsl/gsl_randist.h>
+#include <gsl/gsl_rng.h>
+#include <stdbool.h>
+#include <assert.h>
+#include <omp.h>
+#include <fftw3.h>
+
+#include <jst/graph.h>
+#include <jst/rand.h>
+
+typedef struct {
+  graph_t *g;
+  bool *spins;
+  int32_t M;
+  double H;
+} ising_state_t;
+
+typedef struct ll_tag {
+	uint32_t x;
+	struct ll_tag *next;
+} ll_t;
+
+typedef struct {
+  int32_t nv;
+  double dH;
+} cluster_t;
+
+double get_hamiltonian(graph_t *g, double *coupling, bool *x);
+
+void stack_push(ll_t **q, uint32_t x);
+
+uint32_t stack_pop(ll_t **q);
+
+bool stack_contains(const ll_t *q, uint32_t x);
+
+cluster_t *flip_cluster(const graph_t *g, const double *ps, double H, bool *x, gsl_rng *r);
+
+graph_t *graph_add_ext(const graph_t *g);
+
+double hh(double th);
+
+double *get_bond_probs(double T, double H, ising_state_t *s);
+
+int32_t wolff_step(double T, double H, ising_state_t *s, gsl_rng *r, double *ps);
+