"""Defines the possible routines for computing the gravitational forces in the simulation. All the methods in this file require a position (n, 3) vector, a mass (n, ) vector and an optional softening scale float.""" import ctypes import numpy.ctypeslib as ctl import numpy as np from numba import jit def bruteForce(r_vec, mass, soft=0.): """Calculates the acceleration generated by a set of masses on themselves. Complexity O(n*m) where n is the total number of masses and m is the number of massive particles. Parameters: r_vec (array): list of particles positions. Shape (n, 3) where n is the number of particles mass (array): list of particles masses. Shape (n,) soft (float): characteristic plummer softening length scale Returns: forces (array): list of forces acting on each particle. Shape (n, 3) """ # Only calculate forces from massive particles mask = mass!=0 massMassive = mass[mask] rMassive_vec = r_vec[mask] # x m x 1 matrix (m = number of massive particles) for broadcasting mass_mat = massMassive.reshape(1, -1, 1) # Calculate displacements # r_ten is the direction of the pairwise displacements. Shape (n, m, 3) # r_mat is the absolute distance of the pairwise displacements. (n, m, 1) r_ten = rMassive_vec.reshape(1, -1, 3) - r_vec.reshape(-1, 1, 3) r_mat = np.linalg.norm(r_ten, axis=-1, keepdims=True) # Avoid division by zeros # $a = M / (r + \epsilon)^2$, where $\epsilon$ is the softening scale # r_ten/r_mat gives the direction unit vector accel = np.divide(r_ten * mass_mat/(r_mat+soft)**2, r_mat, where=r_ten.astype(bool), out=r_ten) # Reuse memory from r_ten return accel.sum(axis=1) # Add all forces on each particle @jit(nopython=True) # Numba annotation def bruteForceNumba(r_vec, mass, soft=0.): """Calculates the acceleration generated by a set of masses on themselves. It is done in the same way as in bruteForce, but this method is ran through Numba""" mask = mass!=0 massMassive = mass[mask] rMassive_vec = r_vec[mask] mass_mat = massMassive.reshape(1, -1, 1) r_ten = rMassive_vec.reshape(1, -1, 3) - r_vec.reshape(-1, 1, 3) # Avoid np.linalg.norm to allow Numba optimizations r_mat = np.sqrt(r_ten[:,:,0:1]**2 + r_ten[:,:,1:2]**2 + r_ten[:,:,2:3]**2) r_mat = np.where(r_mat == 0, np.ones_like(r_mat), r_mat) accel = r_ten/r_mat * mass_mat/(r_mat+soft)**2 return accel.sum(axis=1) # Add all forces in each particle @jit(nopython=True) # Numba annotation def bruteForceNumbaOptimized(r_vec, mass, soft=0.): """Calculates the acceleration generated by a set of masses on themselves. This is optimized for high performance with Numba. All massive particles must appear first.""" accel = np.zeros_like(r_vec) # Use superposition to add all the contributions n = r_vec.shape[0] # Number of particles delta = np.zeros((3,)) # Only allocate this once for i in range(n): # Only consider pairs with at least one massive particle i if mass[i] == 0: break for j in range(i+1, n): # Explicitely separate components for high performance # i.e. do not do delta = r_vec[j] - r_vec[i] # (The effect of this is VERY relevant (x10) and has to do with # memory reallocation) Numba will vectorize the loops. for k in range(3): delta[k] = r_vec[j,k] - r_vec[i,k] r = np.sqrt(delta[0]*delta[0] + delta[1]*delta[1] + delta[2]*delta[2]) tripler = (r+soft)**2 * r # Compute acceleration on first particle mr3inv = mass[i]/(tripler) # Again, do NOT do accel[j] -= mr3inv * delta for k in range(3): accel[j,k] -= mr3inv * delta[k] # Compute acceleration on second particle # For pairs with one massless particle, no reaction force if mass[j] == 0: break # Otherwise, opposite direction (+) mr3inv = mass[j]/(tripler) for k in range(3): accel[i,k] += mr3inv * delta[k] return accel # C++ interface, load library ACCLIB = None def loadCPPLib(): """Loads the C++ shared library to the global variable ACCLIB. Must be called before using the library.""" global ACCLIB ACCLIB = ctypes.CDLL('cpp/acclib.so') # Define appropiate types for library functions doublepp = np.ctypeslib.ndpointer(dtype=np.uintp) # double** doublep = ctl.ndpointer(np.float64, flags='aligned, c_contiguous')#double* # Check cpp/acclib.cpp for function signatures ACCLIB.bruteForceCPP.argtypes = [doublepp, doublep, ctypes.c_int, ctypes.c_double] ACCLIB.barnesHutCPP.argtypes = [doublepp, doublep, ctypes.c_int, ctypes.c_double, ctypes.c_double, ctypes.c_double, ctypes.c_double, ctypes.c_double] def bruteForceCPP(r_vec, m_vec, soft=0.): """Calculates the acceleration generated by a set of masses on themselves. This is ran in a shared C++ library through Brute Force (pairwise sums) Massive particles must appear first.""" # Convert array to data required by C++ library if ACCLIB is None: loadCPPLib() # Singleton pattern # Change type to be appropiate for calling library r_vec_c = (r_vec.ctypes.data + np.arange(r_vec.shape[0]) * r_vec.strides[0]).astype(np.uintp) # Set return type as double* ACCLIB.bruteForceCPP.restype = np.ctypeslib.ndpointer(dtype=np.float64, shape=(r_vec.shape[0]*3,)) # Call the C++ function: double* bruteForceCPP accel = ACCLIB.bruteForceCPP(r_vec_c, m_vec, r_vec.shape[0], soft) # Change shape to get the expected Numpy array (n, 3) accel.shape = (-1, 3) return accel def barnesHutCPP(r_vec, m_vec, soft=0.): """Calculates the acceleration generated by a set of masses on themselves. This is ran in a shared C++ library using a BarnesHut tree""" # Convert array to data required by C++ library if ACCLIB is None: loadCPPLib() # Singleton pattern # Change type to be appropiate for calling library r_vec_c = (r_vec.ctypes.data + np.arange(r_vec.shape[0]) * r_vec.strides[0]).astype(np.uintp) # Set return type as double* ACCLIB.barnesHutCPP.restype = np.ctypeslib.ndpointer(dtype=np.float64, shape=(r_vec.shape[0]*3,)) # Explicitely pass the corner and size of the box for the top node px, py, pz = np.min(r_vec, axis=0) size = np.max(np.max(r_vec, axis=0) - np.min(r_vec, axis=0)) # Call the C++ function: double* barnesHutCPP accel = ACCLIB.barnesHutCPP(r_vec_c, m_vec, r_vec.shape[0], size, px, py, pz, soft) # Change shape to get the expected Numpy array (n, 3) accel.shape = (-1, 3) return accel