Merge branch 'master' of github.com:Richard-Sti/csiborgtools

csiborgtools/field/__init__.py

@@ -17,7 +17,7 @@ from .density import (DensityField, PotentialField, TidalTensorField,
                       overdensity_field)                                        # noqa
 from .enclosed_mass import (particles_enclosed_mass,                            # noqa
                             particles_enclosed_momentum, field_enclosed_mass)   # noqa
-from .interp import (evaluate_cartesian, evaluate_sky, evaluate_los,            # noqa
+from .interp import (evaluate_cartesian_cic, evaluate_sky, evaluate_los,            # noqa
                      field2rsp, fill_outside, make_sky,                         # noqa
                      observer_peculiar_velocity, smoothen_field,                # noqa
                      field_at_distance)                                         # noqa

csiborgtools/field/interp.py

@@ -18,6 +18,7 @@ Tools for interpolating 3D fields at arbitrary positions.
 import MAS_library as MASL
 import numpy
 import smoothing_library as SL
+from scipy.interpolate import RegularGridInterpolator
 from numba import jit
 from tqdm import tqdm, trange
 
@@ -30,9 +31,10 @@ from .utils import divide_nonzero, force_single_precision, nside2radec
 ###############################################################################
 
 
-def evaluate_cartesian(*fields, pos, smooth_scales=None, verbose=False):
+def evaluate_cartesian_cic(*fields, pos, smooth_scales=None, verbose=False):
     """
-    Evaluate a scalar field(s) at Cartesian coordinates `pos`.
+    Evaluate a scalar field(s) at Cartesian coordinates `pos` using CIC
+    interpolation.
 
     Parameters
     ----------
@@ -82,6 +84,75 @@ def evaluate_cartesian(*fields, pos, smooth_scales=None, verbose=False):
     return interp_fields
 
 
+def evaluate_cartesian_regular(*fields, pos, smooth_scales=None,
+                               method="linear", verbose=False):
+    """
+    Evaluate a scalar field(s) at Cartesian coordinates `pos` using linear
+    interpolation on a regular grid.
+
+    Parameters
+    ----------
+    *fields : (list of) 3-dimensional array of shape `(grid, grid, grid)`
+        Fields to be interpolated.
+    pos : 2-dimensional array of shape `(n_samples, 3)`
+        Query positions in box units.
+    smooth_scales : (list of) float, optional
+        Smoothing scales in box units. If `None`, no smoothing is performed.
+    method : str, optional
+        Interpolation method, must be one of the methods of
+        `scipy.interpolate.RegularGridInterpolator`.
+    verbose : bool, optional
+        Smoothing verbosity flag.
+
+    Returns
+    -------
+    (list of) 2-dimensional array of shape `(n_samples, len(smooth_scales))`
+    """
+    pos = force_single_precision(pos)
+
+    if isinstance(smooth_scales, (int, float)):
+        smooth_scales = [smooth_scales]
+
+    if smooth_scales is None:
+        shape = (pos.shape[0],)
+    else:
+        shape = (pos.shape[0], len(smooth_scales))
+
+    ngrid = fields[0].shape[0]
+    cellsize = 1. / ngrid
+
+    X = numpy.linspace(0.5 * cellsize, 1 - 0.5 * cellsize, ngrid)
+    Y, Z = numpy.copy(X), numpy.copy(X)
+
+    interp_fields = [numpy.full(shape, numpy.nan, dtype=numpy.float32)
+                     for __ in range(len(fields))]
+    for i, field in enumerate(fields):
+        if smooth_scales is None:
+            field_interp = RegularGridInterpolator(
+                (X, Y, Z), field, fill_value=None, bounds_error=False,
+                method=method)
+            interp_fields[i] = field_interp(pos)
+        else:
+            desc = f"Smoothing and interpolating field {i + 1}/{len(fields)}"
+            iterator = tqdm(smooth_scales, desc=desc, disable=not verbose)
+
+            for j, scale in enumerate(iterator):
+                if not scale > 0:
+                    fsmooth = numpy.copy(field)
+                else:
+                    fsmooth = smoothen_field(field, scale, 1., make_copy=True)
+
+                field_interp = RegularGridInterpolator(
+                    (X, Y, Z), fsmooth, fill_value=None, bounds_error=False,
+                    method=method)
+                interp_fields[i][:, j] = field_interp(pos)
+
+    if len(fields) == 1:
+        return interp_fields[0]
+
+    return interp_fields
+
+
 def observer_peculiar_velocity(velocity_field, smooth_scales=None,
                                observer=None, verbose=True):
     """
@@ -108,7 +179,7 @@ def observer_peculiar_velocity(velocity_field, smooth_scales=None,
     else:
         pos = numpy.asanyarray(observer).reshape(1, 3)
 
-    vx, vy, vz = evaluate_cartesian(
+    vx, vy, vz = evaluate_cartesian_cic(
         *velocity_field, pos=pos, smooth_scales=smooth_scales, verbose=verbose)
 
     # Reshape since we evaluated only one point
@@ -127,7 +198,7 @@ def observer_peculiar_velocity(velocity_field, smooth_scales=None,
 
 
 def evaluate_los(*fields, sky_pos, boxsize, rmax, dr, smooth_scales=None,
-                 verbose=False):
+                 interpolation_method="cic", verbose=False):
     """
     Interpolate the fields for a set of lines of sights from the observer
     in the centre of the box.
@@ -146,6 +217,9 @@ def evaluate_los(*fields, sky_pos, boxsize, rmax, dr, smooth_scales=None,
         Radial distance step in `Mpc / h`.
     smooth_scales : (list of) float, optional
         Smoothing scales in `Mpc / h`.
+    interpolation_method : str, optional
+        Interpolation method. Must be one of `cic` or one of the methods of
+        `scipy.interpolate.RegularGridInterpolator`.
     verbose : bool, optional
         Smoothing verbosity flag.
 
@@ -191,9 +265,15 @@ def evaluate_los(*fields, sky_pos, boxsize, rmax, dr, smooth_scales=None,
 
         smooth_scales *= mpc2box
 
-    field_interp = evaluate_cartesian(*fields, pos=pos,
-                                      smooth_scales=smooth_scales,
-                                      verbose=verbose)
+    if interpolation_method == "cic":
+        field_interp = evaluate_cartesian_cic(
+            *fields, pos=pos, smooth_scales=smooth_scales,
+            verbose=verbose)
+    else:
+        field_interp = evaluate_cartesian_regular(
+            *fields, pos=pos, smooth_scales=smooth_scales,
+            method=interpolation_method, verbose=verbose)
+
     if len(fields) == 1:
         field_interp = [field_interp]
 
@@ -228,7 +308,7 @@ def evaluate_los(*fields, sky_pos, boxsize, rmax, dr, smooth_scales=None,
 def evaluate_sky(*fields, pos, mpc2box, smooth_scales=None, verbose=False):
     """
     Evaluate a scalar field(s) at radial distance `Mpc / h`, right ascensions
-    [0, 360) deg and declinations [-90, 90] deg.
+    [0, 360) deg and declinations [-90, 90] deg. Uses CIC interpolation.
 
     Parameters
     ----------
@@ -264,8 +344,9 @@ def evaluate_sky(*fields, pos, mpc2box, smooth_scales=None, verbose=False):
 
         smooth_scales *= mpc2box
 
-    return evaluate_cartesian(*fields, pos=cart_pos,
-                              smooth_scales=smooth_scales, verbose=verbose)
+    return evaluate_cartesian_cic(*fields, pos=cart_pos,
+                                  smooth_scales=smooth_scales,
+                                  verbose=verbose)
 
 
 def make_sky(field, angpos, dist, boxsize, verbose=True):
@@ -324,7 +405,7 @@ def make_sky(field, angpos, dist, boxsize, verbose=True):
 def field_at_distance(field, distance, boxsize, smooth_scales=None, nside=128,
                       verbose=True):
     """
-    Evaluate a scalar field at uniformly spaced  angular coordinates at a
+    Evaluate a scalar field at uniformly spaced angular coordinates at a
     given distance from the observer
 
     Parameters
@@ -355,8 +436,8 @@ def field_at_distance(field, distance, boxsize, smooth_scales=None, nside=128,
                       angpos])
     X = radec_to_cartesian(X) / boxsize + 0.5
 
-    return evaluate_cartesian(field, pos=X, smooth_scales=smooth_scales,
-                              verbose=verbose)
+    return evaluate_cartesian_cic(field, pos=X, smooth_scales=smooth_scales,
+                                  verbose=verbose)
 
 
 ###############################################################################

csiborgtools/flow/__init__.py

@@ -15,4 +15,6 @@
 from .flow_model import (DataLoader, radial_velocity_los, dist2redshift,        # noqa
                          dist2distmodulus, predict_zobs, project_Vext,          # noqa
                          SD_PV_validation_model, SN_PV_validation_model,        # noqa
-                         radec_to_galactic)                                     # noqa
+                         TF_PV_validation_model, radec_to_galactic,             # noqa
+                         sample_prior, make_loss, get_model,                    # noqa
+                         optimize_model_with_jackknife)                         # noqa

csiborgtools/flow/flow_model.py

@@ -20,7 +20,7 @@ References
 [1] https://arxiv.org/abs/1912.09383.
 """
 from datetime import datetime
-from warnings import warn
+from warnings import catch_warnings, simplefilter, warn
 
 import numpy as np
 import numpyro
@@ -29,12 +29,18 @@ from astropy import units as u
 from astropy.coordinates import SkyCoord
 from astropy.cosmology import FlatLambdaCDM
 from h5py import File
+from jax import jit
 from jax import numpy as jnp
 from jax import vmap
+from jax.lax import cond, scan
+from jax.random import PRNGKey
+from numpyro.infer import Predictive, util
+from scipy.optimize import fmin_powell
+from sklearn.model_selection import KFold
 from tqdm import tqdm, trange
+from numdifftools import Hessian
 
 from ..params import simname2Omega_m
-from ..read import CSiBORG1Catalogue
 
 SPEED_OF_LIGHT = 299792.458  # km / s
 
@@ -130,19 +136,22 @@ class DataLoader:
         if not store_full_velocity:
             self._los_velocity = None
 
-        Omega_m = simname2Omega_m(simname)
+        self._Omega_m = simname2Omega_m(simname)
 
         # Normalize the CSiBORG density by the mean matter density
         if "csiborg" in simname:
-            cosmo = FlatLambdaCDM(H0=100, Om0=Omega_m)
+            cosmo = FlatLambdaCDM(H0=100, Om0=self._Omega_m)
             mean_rho_matter = cosmo.critical_density0.to("Msun/kpc^3").value
-            mean_rho_matter *= Omega_m
+            mean_rho_matter *= self._Omega_m
             self._los_density /= mean_rho_matter
 
         # Since Carrick+2015 provide `rho / <rho> - 1`
         if simname == "Carrick2015":
             self._los_density += 1
 
+        self._mask = np.ones(len(self._cat), dtype=bool)
+        self._catname = catalogue
+
     @property
     def cat(self):
         """
@@ -152,7 +161,7 @@ class DataLoader:
         -------
         structured array
         """
-        return self._cat
+        return self._cat[self._mask]
 
     @property
     def catname(self):
@@ -185,7 +194,7 @@ class DataLoader:
         ----------
         3-dimensional array of shape (n_objects, n_simulations, n_steps)
         """
-        return self._los_density
+        return self._los_density[self._mask]
 
     @property
     def los_velocity(self):
@@ -198,7 +207,7 @@ class DataLoader:
         """
         if self._los_velocity is None:
             raise ValueError("The 3D velocities were not stored.")
-        return self._los_velocity
+        return self._los_velocity[self._mask]
 
     @property
     def los_radial_velocity(self):
@@ -209,7 +218,7 @@ class DataLoader:
         -------
         3-dimensional array of shape (n_objects, n_simulations, n_steps)
         """
-        return self._los_radial_velocity
+        return self._los_radial_velocity[self._mask]
 
     def _read_field(self, simname, catalogue, k, paths):
         """Read in the interpolated field."""
@@ -250,7 +259,8 @@ class DataLoader:
                 arr = np.empty(len(f["RA"]), dtype=dtype)
                 for key in f.keys():
                     arr[key] = f[key][:]
-        elif catalogue == "LOSS" or catalogue == "Foundation":
+        elif catalogue in ["LOSS", "Foundation", "SFI_gals", "2MTF",
+                           "Pantheon+"]:
             with File(catalogue_fpath, 'r') as f:
                 grp = f[catalogue]
 
@@ -258,28 +268,46 @@ class DataLoader:
                 arr = np.empty(len(grp["RA"]), dtype=dtype)
                 for key in grp.keys():
                     arr[key] = grp[key][:]
-        elif "csiborg1" in catalogue:
-            nsim = int(catalogue.split("_")[-1])
-            cat = CSiBORG1Catalogue(nsim, bounds={"totmass": (1e13, None)})
-
-            seed = 42
-            gen = np.random.default_rng(seed)
-            mask = gen.choice(len(cat), size=100, replace=False)
-
-            keys = ["r_hMpc", "RA", "DEC"]
-            dtype = [(key, np.float32) for key in keys]
-            arr = np.empty(len(mask), dtype=dtype)
-
-            sph_pos = cat["spherical_pos"]
-            arr["r_hMpc"] = sph_pos[mask, 0]
-            arr["RA"] = sph_pos[mask, 1]
-            arr["DEC"] = sph_pos[mask, 2]
-            # TODO: add peculiar velocit
         else:
             raise ValueError(f"Unknown catalogue: `{catalogue}`.")
 
         return arr
 
+    def make_jackknife_mask(self, i, n_splits, seed=42):
+        """
+        Set the jackknife mask to exclude the `i`-th split.
+
+        Parameters
+        ----------
+        i : int
+            Index of the split to exclude.
+        n_splits : int
+            Number of splits.
+        seed : int, optional
+            Random seed.
+
+        Returns
+        -------
+        None, sets `mask` internally.
+        """
+        cv = KFold(n_splits=n_splits, shuffle=True, random_state=seed)
+        n = len(self._cat)
+        indxs = np.arange(n)
+
+        gen = np.random.default_rng(seed)
+        gen.shuffle(indxs)
+
+        for j, (train_index, __) in enumerate(cv.split(np.arange(n))):
+            if i == j:
+                self._mask = indxs[train_index]
+                return
+
+        raise ValueError("The index `i` must be in the range of `n_splits`.")
+
+    def reset_mask(self):
+        """Reset the jackknife mask."""
+        self._mask = np.ones(len(self._cat), dtype=bool)
+
 
 ###############################################################################
 #                       Supplementary flow functions                          #
@@ -405,6 +433,19 @@ def dist2distmodulus(dist, Omega_m):
     return 5 * jnp.log10(luminosity_distance) + 25
 
 
+# def distmodulus2dist(distmodulus, Omega_m):
+#     """
+#     Copied from Supranta. Make sure this actually works.
+#
+#
+#     """
+#     dL = 10 ** ((distmodulus - 25.) / 5.)
+#     r_hMpc = dL
+#     for i in range(4):
+#         r_hMpc = dL / (1.0 + dist2redshift(r_hMpc, Omega_m))
+#     return r_hMpc
+
+
 def project_Vext(Vext_x, Vext_y, Vext_z, RA, dec):
     """
     Project the external velocity onto the line of sight along direction
@@ -459,8 +500,8 @@ def predict_zobs(dist, beta, Vext_radial, vpec_radial, Omega_m):
 #                          Flow validation models                             #
 ###############################################################################
 
-
-def calculate_ptilde_wo_bias(xrange, mu, err, r_squared_xrange=None):
+def calculate_ptilde_wo_bias(xrange, mu, err, r_squared_xrange=None,
+                             is_err_squared=False):
     """
     Calculate `ptilde(r)` without any bias.
 
@@ -475,12 +516,17 @@ def calculate_ptilde_wo_bias(xrange, mu, err, r_squared_xrange=None):
     r_squared_xrange : 1-dimensional array, optional
         Radial distances squared where the field was interpolated for each
         object. If not provided, the `r^2` correction is not applied.
+    is_err_squared : bool, optional
+        Whether the error is already squared.
 
     Returns
     -------
     1-dimensional array
     """
-    ptilde = jnp.exp(-0.5 * ((xrange - mu) / err)**2)
+    if is_err_squared:
+        ptilde = jnp.exp(-0.5 * (xrange - mu)**2 / err)
+    else:
+        ptilde = jnp.exp(-0.5 * ((xrange - mu) / err)**2)
 
     if r_squared_xrange is not None:
         ptilde *= r_squared_xrange
@@ -548,7 +594,7 @@ class SD_PV_validation_model:
         self._z_obs = jnp.asarray(z_obs, dtype=dt)
 
         self._r_hMpc = jnp.asarray(r_hMpc, dtype=dt)
-        self._e_rhMpc = jnp.asarray(e_r_hMpc, dtype=dt)
+        self._e2_rhMpc = jnp.asarray(e_r_hMpc**2, dtype=dt)
 
         # Get radius squared
         r2_xrange = r_xrange**2
@@ -560,22 +606,23 @@ class SD_PV_validation_model:
             raise ValueError("The radial step size must be constant.")
         dr = dr[0]
 
+        self._r_xrange = r_xrange
+
         # Get the various vmapped functions
-        self._vmap_ptilde_wo_bias = vmap(lambda mu, err: calculate_ptilde_wo_bias(r_xrange, mu, err, r2_xrange))                        # noqa
+        self._vmap_ptilde_wo_bias = vmap(lambda mu, err: calculate_ptilde_wo_bias(r_xrange, mu, err, r2_xrange, True))                  # noqa
         self._vmap_simps = vmap(lambda y: simps(y, dr))
         self._vmap_zobs = vmap(lambda beta, Vr, vpec_rad: predict_zobs(r_xrange, beta, Vr, vpec_rad, Omega_m), in_axes=(None, 0, 0))    # noqa
         self._vmap_ll_zobs = vmap(lambda zobs, zobs_pred, sigma_v: calculate_ll_zobs(zobs, zobs_pred, sigma_v), in_axes=(0, 0, None))   # noqa
 
         # Distribution of external velocity components
-        self._Vext = dist.Uniform(-1000, 1000)
+        self._Vext = dist.Uniform(-500, 500)
         # Distribution of density, velocity and location bias parameters
         self._alpha = dist.LogNormal(*lognorm_mean_std_to_loc_scale(1.0, 0.5))     # noqa
         self._beta = dist.Normal(1., 0.5)
-        self._h = dist.LogNormal(*lognorm_mean_std_to_loc_scale(1.0, 0.5))
         # Distribution of velocity uncertainty sigma_v
         self._sv = dist.LogNormal(*lognorm_mean_std_to_loc_scale(150, 100))
 
-    def __call__(self, sample_alpha=False, scale_distance=False):
+    def __call__(self, sample_alpha=False):
         """
         The simple distance NumPyro PV validation model.
 
@@ -584,21 +631,19 @@ class SD_PV_validation_model:
         sample_alpha : bool, optional
             Whether to sample the density bias parameter `alpha`, otherwise
             it is fixed to 1.
-        scale_distance : bool, optional
-            Whether to scale the distance by `h`, otherwise it is fixed to 1.
         """
         Vx = numpyro.sample("Vext_x", self._Vext)
         Vy = numpyro.sample("Vext_y", self._Vext)
         Vz = numpyro.sample("Vext_z", self._Vext)
+
         alpha = numpyro.sample("alpha", self._alpha) if sample_alpha else 1.0
         beta = numpyro.sample("beta", self._beta)
-        h = numpyro.sample("h", self._h) if scale_distance else 1.0
         sigma_v = numpyro.sample("sigma_v", self._sv)
 
         Vext_rad = project_Vext(Vx, Vy, Vz, self._RA, self._dec)
 
         # Calculate p(r) and multiply it by the galaxy bias
-        ptilde = self._vmap_ptilde_wo_bias(h * self._r_hMpc, h * self._e_rhMpc)
+        ptilde = self._vmap_ptilde_wo_bias(self._r_hMpc, self._e2_rhMpc)
         ptilde *= self._los_density**alpha
 
         # Normalization of p(r)
@@ -667,26 +712,25 @@ class SN_PV_validation_model:
         dr = dr[0]
 
         # Get the various vmapped functions
-        self._vmap_ptilde_wo_bias = vmap(lambda mu, err: calculate_ptilde_wo_bias(mu_xrange, mu, err, r2_xrange))                       # noqa
-        self._vmap_simps = vmap(lambda y: simps(y, dr))
-        self._vmap_zobs = vmap(lambda beta, Vr, vpec_rad: predict_zobs(r_xrange, beta, Vr, vpec_rad, Omega_m), in_axes=(None, 0, 0))    # noqa
-        self._vmap_ll_zobs = vmap(lambda zobs, zobs_pred, sigma_v: calculate_ll_zobs(zobs, zobs_pred, sigma_v), in_axes=(0, 0, None))   # noqa
+        self._f_ptilde_wo_bias = lambda mu, err: calculate_ptilde_wo_bias(mu_xrange, mu, err, r2_xrange, True)  # noqa
+        self._f_simps = lambda y: simps(y, dr)                                                                  # noqa
+        self._f_zobs = lambda beta, Vr, vpec_rad: predict_zobs(r_xrange, beta, Vr, vpec_rad, Omega_m)           # noqa
 
         # Distribution of external velocity components
-        self._dist_Vext = dist.Uniform(-1000, 1000)
+        self._Vext = dist.Uniform(-500, 500)
         # Distribution of velocity and density bias parameters
-        self._dist_alpha = dist.LogNormal(*lognorm_mean_std_to_loc_scale(1.0, 0.5))     # noqa
-        self._dist_beta = dist.Normal(1., 0.5)
+        self._alpha = dist.LogNormal(*lognorm_mean_std_to_loc_scale(1.0, 0.5))
+        self._beta = dist.Normal(1., 0.5)
         # Distribution of velocity uncertainty
-        self._dist_sigma_v = dist.LogNormal(*lognorm_mean_std_to_loc_scale(150, 100))   # noqa
+        self._sigma_v = dist.LogNormal(*lognorm_mean_std_to_loc_scale(150, 100))   # noqa
 
         # Distribution of light curve calibration parameters
-        self._dist_mag_cal = dist.Normal(-18.25, 1.0)
-        self._dist_alpha_cal = dist.Normal(0.1, 0.5)
-        self._dist_beta_cal = dist.Normal(3.0, 1.0)
-        self._dist_e_mu = dist.LogNormal(*lognorm_mean_std_to_loc_scale(0.1, 0.05))     # noqa
+        self._mag_cal = dist.Normal(-18.25, 0.5)
+        self._alpha_cal = dist.Normal(0.148, 0.05)
+        self._beta_cal = dist.Normal(3.112, 1.0)
+        self._e_mu = dist.LogNormal(*lognorm_mean_std_to_loc_scale(0.1, 0.05))
 
-    def __call__(self, sample_alpha=False, fix_calibration=False):
+    def __call__(self, sample_alpha=True, fix_calibration=False):
         """
         The supernova NumPyro PV validation model with SALT2 calibration.
 
@@ -695,23 +739,25 @@ class SN_PV_validation_model:
         sample_alpha : bool, optional
             Whether to sample the density bias parameter `alpha`, otherwise
             it is fixed to 1.
+        fix_calibration : str, optional
+            Whether to fix the calibration parameters. If not provided, they
+            are sampled. If "Foundation" or "LOSS" is provided, the parameters
+            are fixed to the best inverse parameters for the Foundation or LOSS
+            catalogues.
         """
-        Vx = numpyro.sample("Vext_x", self._dist_Vext)
-        Vy = numpyro.sample("Vext_y", self._dist_Vext)
-        Vz = numpyro.sample("Vext_z", self._dist_Vext)
-        if sample_alpha:
-            alpha = numpyro.sample("alpha", self._dist_alpha)
-        else:
-            alpha = 1.0
-        beta = numpyro.sample("beta", self._dist_beta)
-        sigma_v = numpyro.sample("sigma_v", self._dist_sigma_v)
+        Vx = numpyro.sample("Vext_x", self._Vext)
+        Vy = numpyro.sample("Vext_y", self._Vext)
+        Vz = numpyro.sample("Vext_z", self._Vext)
+        alpha = numpyro.sample("alpha", self._alpha) if sample_alpha else 1.0
+        beta = numpyro.sample("beta", self._beta)
+        sigma_v = numpyro.sample("sigma_v", self._sigma_v)
 
         if fix_calibration == "Foundation":
             # Foundation inverse best parameters
             e_mu_intrinsic = 0.064
             alpha_cal = 0.135
             beta_cal = 2.9
-            sigma_v = 140
+            sigma_v = 149
             mag_cal = -18.555
         elif fix_calibration == "LOSS":
             # LOSS inverse best parameters
@@ -719,31 +765,399 @@ class SN_PV_validation_model:
             alpha_cal = 0.123
             beta_cal = 3.52
             mag_cal = -18.195
-            sigma_v = 140
+            sigma_v = 149
         else:
-            e_mu_intrinsic = numpyro.sample("e_mu_intrinsic", self._dist_e_mu)
-            mag_cal = numpyro.sample("mag_cal", self._dist_mag_cal)
-            alpha_cal = numpyro.sample("alpha_cal", self._dist_alpha_cal)
-            beta_cal = numpyro.sample("beta_cal", self._dist_beta_cal)
+            e_mu_intrinsic = numpyro.sample("e_mu_intrinsic", self._e_mu)
+            mag_cal = numpyro.sample("mag_cal", self._mag_cal)
+            alpha_cal = numpyro.sample("alpha_cal", self._alpha_cal)
+            beta_cal = numpyro.sample("beta_cal", self._beta_cal)
 
         Vext_rad = project_Vext(Vx, Vy, Vz, self._RA, self._dec)
 
         mu = self._mB - mag_cal + alpha_cal * self._x1 - beta_cal * self._c
-        squared_e_mu = (self._e2_mB
-                        + alpha_cal**2 * self._e2_x1
-                        + beta_cal**2 * self._e2_c)
-        squared_e_mu += e_mu_intrinsic**2
+        squared_e_mu = (self._e2_mB + alpha_cal**2 * self._e2_x1
+                        + beta_cal**2 * self._e2_c + e_mu_intrinsic**2)
 
-        # Calculate p(r) and multiply it by the galaxy bias
-        ptilde = self._vmap_ptilde_wo_bias(mu, squared_e_mu**0.5)
-        ptilde *= self._los_density**alpha
+        def scan_body(ll, i):
+            # Calculate p(r) and multiply it by the galaxy bias
+            ptilde = self._f_ptilde_wo_bias(mu[i], squared_e_mu[i])
+            ptilde *= self._los_density[i]**alpha
 
-        # Normalization of p(r)
-        pnorm = self._vmap_simps(ptilde)
+            # Normalization of p(r)
+            pnorm = self._f_simps(ptilde)
 
-        # Calculate p(z_obs) and multiply it by p(r)
-        zobs_pred = self._vmap_zobs(beta, Vext_rad, self._los_velocity)
-        ptilde *= self._vmap_ll_zobs(self._z_obs, zobs_pred, sigma_v)
+            # Calculate p(z_obs) and multiply it by p(r)
+            zobs_pred = self._f_zobs(beta, Vext_rad[i], self._los_velocity[i])
+            ptilde *= calculate_ll_zobs(self._z_obs[i], zobs_pred, sigma_v)
 
-        ll = jnp.sum(jnp.log(self._vmap_simps(ptilde) / pnorm))
+            return ll + jnp.log(self._f_simps(ptilde) / pnorm), None
+
+        ll = 0.
+        ll, __ = scan(scan_body, ll, jnp.arange(len(self._RA)))
         numpyro.factor("ll", ll)
+
+
+class TF_PV_validation_model:
+    """
+    Tully-Fisher peculiar velocity (PV) validation model that includes the
+    calibration of the Tully-Fisher distance `mu = m - (a + b * eta)`.
+
+    Parameters
+    ----------
+    los_density : 2-dimensional array of shape (n_objects, n_steps)
+        LOS density field.
+    los_velocity : 3-dimensional array of shape (n_objects, n_steps)
+        LOS radial velocity field.
+    RA, dec : 1-dimensional arrays of shape (n_objects)
+        Right ascension and declination in degrees.
+    z_obs : 1-dimensional array of shape (n_objects)
+        Observed redshifts.
+    mag, eta : 1-dimensional arrays of shape (n_objects)
+        Apparent magnitude and `eta` parameter.
+    e_mag, e_eta : 1-dimensional arrays of shape (n_objects)
+        Errors on the apparent magnitude and `eta` parameter.
+    r_xrange : 1-dimensional array
+        Radial distances where the field was interpolated for each object.
+    Omega_m : float
+        Matter density parameter.
+    """
+
+    def __init__(self, los_density, los_velocity, RA, dec, z_obs,
+                 mag, eta, e_mag, e_eta, r_xrange, Omega_m):
+        dt = jnp.float32
+        # Convert everything to JAX arrays.
+        self._los_density = jnp.asarray(los_density, dtype=dt)
+        self._los_velocity = jnp.asarray(los_velocity, dtype=dt)
+
+        self._RA = jnp.asarray(np.deg2rad(RA), dtype=dt)
+        self._dec = jnp.asarray(np.deg2rad(dec), dtype=dt)
+        self._z_obs = jnp.asarray(z_obs, dtype=dt)
+
+        self._mag = jnp.asarray(mag, dtype=dt)
+        self._eta = jnp.asarray(eta, dtype=dt)
+        self._e2_mag = jnp.asarray(e_mag**2, dtype=dt)
+        self._e2_eta = jnp.asarray(e_eta**2, dtype=dt)
+
+        # Get radius squared
+        r2_xrange = r_xrange**2
+        r2_xrange /= r2_xrange.mean()
+        mu_xrange = dist2distmodulus(r_xrange, Omega_m)
+
+        # Get the stepsize, we need it to be constant for Simpson's rule.
+        dr = np.diff(r_xrange)
+        if not np.all(np.isclose(dr, dr[0], atol=1e-5)):
+            raise ValueError("The radial step size must be constant.")
+        dr = dr[0]
+
+        # Get the various vmapped functions
+        self._f_ptilde_wo_bias = lambda mu, err: calculate_ptilde_wo_bias(mu_xrange, mu, err, r2_xrange, True)  # noqa
+        self._f_simps = lambda y: simps(y, dr)                                                                  # noqa
+        self._f_zobs = lambda beta, Vr, vpec_rad: predict_zobs(r_xrange, beta, Vr, vpec_rad, Omega_m)           # noqa
+
+        # Distribution of external velocity components
+        self._Vext = dist.Uniform(-1000, 1000)
+        # Distribution of velocity and density bias parameters
+        self._alpha = dist.LogNormal(*lognorm_mean_std_to_loc_scale(1.0, 0.5))     # noqa
+        self._beta = dist.Normal(1., 0.5)
+        # Distribution of velocity uncertainty
+        self._sigma_v = dist.LogNormal(*lognorm_mean_std_to_loc_scale(150, 100))   # noqa
+
+        # Distribution of Tully-Fisher calibration parameters
+        self._a = dist.Normal(-21., 0.5)
+        self._b = dist.Normal(-5.95, 0.1)
+        self._e_mu = dist.LogNormal(*lognorm_mean_std_to_loc_scale(0.3, 0.1))      # noqa
+
+    def __call__(self, sample_alpha=True):
+        """
+        The Tully-Fisher NumPyro PV validation model.
+
+        Parameters
+        ----------
+        sample_alpha : bool, optional
+            Whether to sample the density bias parameter `alpha`, otherwise
+            it is fixed to 1.
+        """
+        Vx = numpyro.sample("Vext_x", self._Vext)
+        Vy = numpyro.sample("Vext_y", self._Vext)
+        Vz = numpyro.sample("Vext_z", self._Vext)
+        alpha = numpyro.sample("alpha", self._alpha) if sample_alpha else 1.0
+        beta = numpyro.sample("beta", self._beta)
+        sigma_v = numpyro.sample("sigma_v", self._sigma_v)
+
+        e_mu_intrinsic = numpyro.sample("e_mu_intrinsic", self._e_mu)
+        a = numpyro.sample("a", self._a)
+        b = numpyro.sample("b", self._b)
+
+        Vext_rad = project_Vext(Vx, Vy, Vz, self._RA, self._dec)
+
+        mu = self._mag - (a + b * self._eta)
+        squared_e_mu = (self._e2_mag + b**2 * self._e2_eta
+                        + e_mu_intrinsic**2)
+
+        def scan_body(ll, i):
+            # Calculate p(r) and multiply it by the galaxy bias
+            ptilde = self._f_ptilde_wo_bias(mu[i], squared_e_mu[i])
+            ptilde *= self._los_density[i]**alpha
+
+            # Normalization of p(r)
+            pnorm = self._f_simps(ptilde)
+
+            # Calculate p(z_obs) and multiply it by p(r)
+            zobs_pred = self._f_zobs(beta, Vext_rad[i], self._los_velocity[i])
+            ptilde *= calculate_ll_zobs(self._z_obs[i], zobs_pred, sigma_v)
+
+            return ll + jnp.log(self._f_simps(ptilde) / pnorm), None
+
+        ll = 0.
+        ll, __ = scan(scan_body, ll, jnp.arange(len(self._RA)))
+
+        numpyro.factor("ll", ll)
+
+
+###############################################################################
+#                       Shortcut to create a model                           #
+###############################################################################
+
+
+def get_model(loader, k, zcmb_max=None, verbose=True):
+    """
+    Get a model and extract the relevant data from the loader.
+
+    Parameters
+    ----------
+    loader : DataLoader
+        DataLoader instance.
+    k : int
+        Simulation index.
+    zcmb_max : float, optional
+        Maximum observed redshift in the CMB frame to include.
+    verbose : bool, optional
+        Verbosity flag.
+
+    Returns
+    -------
+    model : NumPyro model
+    """
+    zcmb_max = np.infty if zcmb_max is None else zcmb_max
+
+    if k > loader.los_density.shape[1]:
+        raise ValueError(f"Simulation index `{k}` out of range.")
+
+    los_overdensity = loader.los_density[:, k, :]
+    los_velocity = loader.los_radial_velocity[:, k, :]
+    kind = loader._catname
+
+    if kind in ["LOSS", "Foundation"]:
+        keys = ["RA", "DEC", "z_CMB", "mB", "x1", "c", "e_mB", "e_x1", "e_c"]
+        RA, dec, zCMB, mB, x1, c, e_mB, e_x1, e_c = (loader.cat[k] for k in keys)  # noqa
+
+        mask = (zCMB < zcmb_max)
+        model = SN_PV_validation_model(
+            los_overdensity[mask], los_velocity[mask], RA[mask], dec[mask],
+            zCMB[mask], mB[mask], x1[mask], c[mask], e_mB[mask], e_x1[mask],
+            e_c[mask], loader.rdist, loader._Omega_m)
+    elif kind == "Pantheon+":
+        keys = ["RA", "DEC", "zCMB", "mB", "x1", "c", "biasCor_m_b", "mBERR",
+                "x1ERR", "cERR", "biasCorErr_m_b"]
+
+        RA, dec, zCMB, mB, x1, c, bias_corr_mB, e_mB, e_x1, e_c, e_bias_corr_mB = (loader.cat[k] for k in keys)  # noqa
+        mB -= bias_corr_mB
+        e_mB = np.sqrt(e_mB**2 + e_bias_corr_mB**2)
+
+        mask = (zCMB < zcmb_max)
+        model = SN_PV_validation_model(
+            los_overdensity[mask], los_velocity[mask], RA[mask], dec[mask],
+            zCMB[mask], mB[mask], x1[mask], c[mask], e_mB[mask], e_x1[mask],
+            e_c[mask], loader.rdist, loader._Omega_m)
+    elif kind in ["SFI_gals", "2MTF"]:
+        keys = ["RA", "DEC", "z_CMB", "mag", "eta", "e_mag", "e_eta"]
+        RA, dec, zCMB, mag, eta, e_mag, e_eta = (loader.cat[k] for k in keys)
+
+        mask = (zCMB < zcmb_max)
+        if kind == "SFI_gals":
+            mask &= (eta > -0.15) & (eta < 0.2)
+            if verbose:
+                print("Emplyed eta cut for SFI galaxies.", flush=True)
+        model = TF_PV_validation_model(
+            los_overdensity[mask], los_velocity[mask], RA[mask], dec[mask],
+            zCMB[mask], mag[mask], eta[mask], e_mag[mask], e_eta[mask],
+            loader.rdist, loader._Omega_m)
+    else:
+        raise ValueError(f"Catalogue `{kind}` not recognized.")
+
+    if verbose:
+        print(f"Selected {np.sum(mask)}/{len(mask)} galaxies.", flush=True)
+
+    return model
+
+
+###############################################################################
+#                  Maximizing likelihood of a NumPyro model                   #
+###############################################################################
+
+
+def sample_prior(model, seed, sample_alpha, as_dict=False):
+    """
+    Sample a single set of parameters from the prior of the model.
+
+    Parameters
+    ----------
+    model : NumPyro model
+        NumPyro model.
+    seed : int
+        Random seed.
+    sample_alpha : bool
+        Whether to sample the density bias parameter `alpha`.
+    as_dict : bool, optional
+        Whether to return the parameters as a dictionary or a list of
+        parameters.
+
+    Returns
+    -------
+    x, keys : tuple
+        Tuple of parameters and their names. If `as_dict` is True, returns
+        only a dictionary.
+    """
+    predictive = Predictive(model, num_samples=1)
+    samples = predictive(PRNGKey(seed), sample_alpha=sample_alpha)
+
+    if as_dict:
+        return samples
+
+    keys = list(samples.keys())
+    if "ll" in keys:
+        keys.remove("ll")
+
+    x = np.asarray([samples[key][0] for key in keys])
+    return x, keys
+
+
+def make_loss(model, keys, sample_alpha=True, to_jit=True):
+    """
+    Generate a loss function for the NumPyro model, that is the negative
+    log-likelihood. Note that this loss function cannot be automatically
+    differentiated.
+
+    Parameters
+    ----------
+    model : NumPyro model
+        NumPyro model.
+    keys : list
+        List of parameter names.
+    sample_alpha : bool, optional
+        Whether to sample the density bias parameter `alpha`.
+    to_jit : bool, optional
+        Whether to JIT the loss function.
+
+    Returns
+    -------
+    loss : function
+        Loss function `f(x)` where `x` is a list of parameters ordered
+        according to `keys`.
+    """
+    def f(x):
+        samples = {key: x[i] for i, key in enumerate(keys)}
+
+        loss = -util.log_likelihood(
+            model, samples, sample_alpha=sample_alpha)["ll"]
+
+        loss += cond(samples["sigma_v"] > 0, lambda: 0., lambda: jnp.inf)
+        loss += cond(samples["e_mu_intrinsic"] > 0, lambda: 0., lambda: jnp.inf)  # noqa
+
+        return cond(jnp.isfinite(loss), lambda: loss, lambda: jnp.inf)
+
+    if to_jit:
+        return jit(f)
+
+    return f
+
+
+def optimize_model_with_jackknife(loader, k, n_splits=5, sample_alpha=True,
+                                  get_model_kwargs={}, seed=42):
+    """
+    Optimize the log-likelihood of a model for `n_splits` jackknifes.
+
+    Parameters
+    ----------
+    loader : DataLoader
+        DataLoader instance.
+    k : int
+        Simulation index.
+    n_splits : int, optional
+        Number of jackknife splits.
+    sample_alpha : bool, optional
+        Whether to sample the density bias parameter `alpha`.
+    get_model_kwargs : dict, optional
+        Additional keyword arguments to pass to the `get_model` function.
+    seed : int, optional
+        Random seed.
+
+    Returns
+    -------
+    samples : dict
+        Dictionary of optimized parameters for each jackknife split.
+    stats : dict
+        Dictionary of mean and standard deviation for each parameter.
+    fmin : 1-dimensional array
+        Minimum negative log-likelihood for each jackknife split.
+    logz : 1-dimensional array
+        Log-evidence for each jackknife split.
+    bic : 1-dimensional array
+        Bayesian information criterion for each jackknife split.
+    """
+    mask = np.zeros(n_splits, dtype=bool)
+    x0 = None
+
+    # Loop over the CV splits.
+    for i in trange(n_splits):
+        loader.make_jackknife_mask(i, n_splits, seed=seed)
+        model = get_model(loader, k, verbose=False, **get_model_kwargs)
+
+        if x0 is None:
+            x0, keys = sample_prior(model, seed, sample_alpha)
+            x = np.full((n_splits, len(x0)), np.nan)
+            fmin = np.full(n_splits, np.nan)
+            logz = np.full(n_splits, np.nan)
+            bic = np.full(n_splits, np.nan)
+
+            loss = make_loss(model, keys, sample_alpha=sample_alpha,
+                             to_jit=True)
+            for j in range(100):
+                if np.isfinite(loss(x0)):
+                    break
+                x0, __ = sample_prior(model, seed + 1, sample_alpha)
+            else:
+                raise ValueError("Failed to find finite initial loss.")
+
+        else:
+            loss = make_loss(model, keys, sample_alpha=sample_alpha,
+                             to_jit=True)
+
+        with catch_warnings():
+            simplefilter("ignore")
+            res = fmin_powell(loss, x0, disp=False)
+
+        if np.all(np.isfinite(res)):
+            x[i] = res
+            mask[i] = True
+            x0 = res
+            fmin[i] = loss(res)
+
+            f_hess = Hessian(loss, method="forward", richardson_terms=1)
+            hess = f_hess(res)
+            D = len(keys)
+            logz[i] = (
+                - fmin[i]
+                + 0.5 * np.log(np.abs(np.linalg.det(np.linalg.inv(hess))))
+                + D / 2 * np.log(2 * np.pi))
+
+            bic[i] = len(keys) * np.log(len(loader.cat["RA"])) + 2 * fmin[i]
+
+    samples = {key: x[:, i][mask] for i, key in enumerate(keys)}
+
+    mean = [np.mean(samples[key]) for key in keys]
+    std = [(len(samples[key] - 1) * np.var(samples[key], ddof=0))**0.5
+           for key in keys]
+    stats = {key: (mean[i], std[i]) for i, key in enumerate(keys)}
+
+    return samples, stats, fmin, logz, bic

csiborgtools/params.py

@@ -63,6 +63,8 @@ def simname2Omega_m(simname):
     Omega_m: float
     """
     d = {"csiborg1": 0.307,
+         "csiborg2_main": 0.3111,
+         "csiborg2_random": 0.3111,
          "borg1": 0.307,
          "Carrick2015": 0.3,
          }

scripts/field_los.py

@@ -58,7 +58,8 @@ def get_los(catalogue_name, simname, comm):
     if comm.Get_rank() == 0:
         folder = "/mnt/extraspace/rstiskalek/catalogs"
 
-        if catalogue_name == "LOSS" or catalogue_name == "Foundation":
+        if catalogue_name in ["LOSS", "Foundation", "SFI_gals", "2MTF",
+                              "Pantheon+"]:
             fpath = join(folder, "PV_compilation_Supranta2019.hdf5")
             with File(fpath, 'r') as f:
                 grp = f[catalogue_name]
@@ -69,18 +70,6 @@ def get_los(catalogue_name, simname, comm):
             with File(fpath, 'r') as f:
                 RA = f["RA"][:]
                 dec = f["DEC"][:]
-        elif "csiborg1" in catalogue_name:
-            nsim = int(catalogue_name.split("_")[-1])
-            cat = csiborgtools.read.CSiBORG1Catalogue(
-                nsim, bounds={"totmass": (1e13, None)})
-
-            seed = 42
-            gen = np.random.default_rng(seed)
-            mask = gen.choice(len(cat), size=100, replace=False)
-
-            sph_pos = cat["spherical_pos"]
-            RA = sph_pos[mask, 1]
-            dec = sph_pos[mask, 2]
         else:
             raise ValueError(f"Unknown field name: `{catalogue_name}`.")
 
@@ -122,6 +111,9 @@ def get_field(simname, nsim, kind, MAS, grid):
     # Open the field reader.
     if simname == "csiborg1":
         field_reader = csiborgtools.read.CSiBORG1Field(nsim)
+    elif "csiborg2" in simname:
+        simkind = simname.split("_")[-1]
+        field_reader = csiborgtools.read.CSiBORG2Field(nsim, simkind)
     elif simname == "Carrick2015":
         folder = "/mnt/extraspace/rstiskalek/catalogs"
         warn(f"Using local paths from `{folder}`.", RuntimeWarning)
@@ -287,7 +279,7 @@ if __name__ == "__main__":
 
     rmax = 200
     dr = 0.5
-    smooth_scales = [0, 2, 4, 6]
+    smooth_scales = [0, 2]
 
     comm = MPI.COMM_WORLD
     paths = csiborgtools.read.Paths(**csiborgtools.paths_glamdring)

scripts/field_los.sh

@@ -1,14 +1,13 @@
-nthreads=11
-memory=64
+nthreads=4
+memory=32
 on_login=${1}
 queue="berg"
 env="/mnt/users/rstiskalek/csiborgtools/venv_csiborg/bin/python"
 file="field_los.py"
 
-catalogue="LOSS"
-# catalogue="csiborg1_9844"
+catalogue=${2}
 nsims="-1"
-simname="csiborg1"
+simname="csiborg2_main"
 MAS="SPH"
 grid=1024
 

scripts/flow_validation.py

@@ -26,7 +26,7 @@ import jax
 import numpy as np
 from h5py import File
 from mpi4py import MPI
-from numpyro.infer import MCMC, NUTS
+from numpyro.infer import MCMC, NUTS, init_to_sample
 from taskmaster import work_delegation  # noqa
 
 
@@ -49,7 +49,7 @@ def get_model(args, nsim_iterator):
     if args.catalogue == "A2":
         fpath = join(folder, "A2.h5")
     elif args.catalogue == "LOSS" or args.catalogue == "Foundation":
-        raise NotImplementedError("To be implemented..")
+        fpath = join(folder, "PV_compilation_Supranta2019.hdf5")
     else:
         raise ValueError(f"Unknown catalogue: `{args.catalogue}`.")
 
@@ -61,16 +61,48 @@ def get_model(args, nsim_iterator):
     los_overdensity = loader.los_density[:, nsim_iterator, :]
     los_velocity = loader.los_radial_velocity[:, nsim_iterator, :]
 
-    RA = loader.cat["RA"]
-    dec = loader.cat["DEC"]
-    z_obs = loader.cat["z_obs"]
+    if args.catalogue == "A2":
+        RA = loader.cat["RA"]
+        dec = loader.cat["DEC"]
+        z_obs = loader.cat["z_obs"]
 
-    r_hMpc = loader.cat["r_hMpc"]
-    e_r_hMpc = loader.cat["e_rhMpc"]
+        r_hMpc = loader.cat["r_hMpc"]
+        e_r_hMpc = loader.cat["e_rhMpc"]
 
-    return csiborgtools.flow.SD_PV_validation_model(
-        los_overdensity, los_velocity, RA, dec, z_obs, r_hMpc, e_r_hMpc,
-        loader.rdist, Omega_m)
+        return csiborgtools.flow.SD_PV_validation_model(
+            los_overdensity, los_velocity, RA, dec, z_obs, r_hMpc, e_r_hMpc,
+            loader.rdist, Omega_m)
+    elif args.catalogue == "LOSS" or args.catalogue == "Foundation":
+        RA = loader.cat["RA"]
+        dec = loader.cat["DEC"]
+        zCMB = loader.cat["z_CMB"]
+
+        mB = loader.cat["mB"]
+        x1 = loader.cat["x1"]
+        c = loader.cat["c"]
+
+        e_mB = loader.cat["e_mB"]
+        e_x1 = loader.cat["e_x1"]
+        e_c = loader.cat["e_c"]
+
+        return csiborgtools.flow.SN_PV_validation_model(
+            los_overdensity, los_velocity, RA, dec, zCMB, mB, x1, c,
+            e_mB, e_x1, e_c, loader.rdist, Omega_m)
+    elif args.catalogue in ["SFI_gals", "2MTF"]:
+        RA = loader.cat["RA"]
+        dec = loader.cat["DEC"]
+        zCMB = loader.cat["z_CMB"]
+
+        mag = loader.cat["mag"]
+        eta = loader.cat["eta"]
+        e_mag = loader.cat["e_mag"]
+        e_eta = loader.cat["e_eta"]
+
+        return csiborgtools.flow.TF_PV_validation_model(
+            los_overdensity, los_velocity, RA, dec, zCMB, mag, eta,
+            e_mag, e_eta, loader.rdist, Omega_m)
+    else:
+        raise ValueError(f"Unknown catalogue: `{args.catalogue}`.")
 
 
 def run_model(model, nsteps, nchains, nsim, dump_folder, show_progress=True):
@@ -96,8 +128,8 @@ def run_model(model, nsteps, nchains, nsim, dump_folder, show_progress=True):
     -------
     None
     """
-    nuts_kernel = NUTS(model)
-    mcmc = MCMC(nuts_kernel, num_warmup=nsteps // 2, num_samples=nsteps // 2,
+    nuts_kernel = NUTS(model, init_strategy=init_to_sample)
+    mcmc = MCMC(nuts_kernel, num_warmup=500, num_samples=nsteps,
                 chain_method="sequential", num_chains=nchains,
                 progress_bar=show_progress)
     rng_key = jax.random.PRNGKey(42)
@@ -185,8 +217,8 @@ if __name__ == "__main__":
     paths = csiborgtools.read.Paths(**csiborgtools.paths_glamdring)
     nsims = paths.get_ics(args.simname)
 
-    nsteps = 5000
-    nchains = 4
+    nsteps = 2000
+    nchains = 2
 
     # Create the dumping folder.
     if comm.Get_rank() == 0:

scripts/flow_validation.sh

@@ -7,8 +7,8 @@ queue="berg"
 env="/mnt/users/rstiskalek/csiborgtools/venv_csiborg/bin/python"
 file="flow_validation.py"
 
-catalogue="A2"
-simname="Carrick2015"
+catalogue="Foundation"
+simname="csiborg2_random"
 
 
 pythoncm="$env $file --catalogue $catalogue --simname $simname --ksmooth $ksmooth"