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adds mpi tools
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2 changed files with 222 additions and 76 deletions
111
jaxpm/ops.py
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111
jaxpm/ops.py
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# Module for custom ops, typically mpi4jax
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import jax
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import jax.numpy as jnp
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import mpi4jax
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def fft3d(arr, token=None, comms=None):
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""" Computes forward FFT, note that the output is transposed
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"""
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if comms is not None:
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shape = list(arr.shape)
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nx = comms[0].Get_size()
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ny = comms[1].Get_size()
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# First FFT along z
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arr = jnp.fft.fft(arr) # [x, y, z]
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# Perform single gpu or distributed transpose
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if comms == None:
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arr = arr.transpose([1, 2, 0])
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else:
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arr = arr.reshape(shape[:-1]+[nx, shape[-1] // nx])
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arr = arr.transpose([2, 1, 3, 0]) # [y, z, x]
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arr, token = mpi4jax.alltoall(arr, comm=comms[0], token=token)
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arr = arr.transpose([1, 2, 0, 3]).reshape(shape) # Now [y, z, x]
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# Second FFT along x
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arr = jnp.fft.fft(arr)
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# Perform single gpu or distributed transpose
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if comms == None:
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arr = arr.transpose([1, 2, 0])
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else:
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arr = arr.reshape(shape[:-1]+[ny, shape[-1] // ny])
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arr = arr.transpose([2, 1, 3, 0]) # [z, x, y]
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arr, token = mpi4jax.alltoall(arr, comm=comms[1], token=token)
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arr = arr.transpose([1, 2, 0, 3]).reshape(shape) # Now [z, x, y]
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# Third FFT along y
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arr = jnp.fft.fft(arr)
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if comms == None:
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return arr
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else:
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return arr, token
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def ifft3d(arr, token=None, comms=None):
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""" Let's assume that the data is distributed accross x
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"""
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if comms is not None:
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shape = list(arr.shape)
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nx = comms[0].Get_size()
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ny = comms[1].Get_size()
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# First FFT along y
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arr = jnp.fft.ifft(arr) # Now [z, x, y]
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# Perform single gpu or distributed transpose
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if comms == None:
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arr = arr.transpose([0, 2, 1])
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else:
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arr = arr.reshape(shape[:-1]+[ny, shape[-1] // ny])
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arr = arr.transpose([2, 0, 3, 1]) # Now [z, y, x]
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arr, token = mpi4jax.alltoall(arr, comm=comms[1], token=token)
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arr = arr.transpose([1, 2, 0, 3]).reshape(shape) # Now [z,y,x]
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# Second FFT along x
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arr = jnp.fft.ifft(arr)
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# Perform single gpu or distributed transpose
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if comms == None:
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arr = arr.transpose([2, 1, 0])
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else:
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arr = arr.reshape(shape[:-1]+[nx, shape[-1] // nx])
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arr = arr.transpose([2, 3, 1, 0]) # now [x, y, z]
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arr, token = mpi4jax.alltoall(arr, comm=comms[0], token=token)
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arr = arr.transpose([1, 2, 0, 3]).reshape(shape) # Now [x,y,z]
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# Third FFT along y
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arr = jnp.fft.fft(arr)
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if comms == None:
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return arr
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else:
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return arr, token
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def halo_reduce(arr, halo_size, token=None, comms=None):
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# Perform halo exchange along x
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rank_x = comms[0].Get_rank()
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margin = arr[-2*halo_size:]
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margin, token = mpi4jax.sendrecv(margin, margin, rank_x-1, rank_x+1,
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comm=comms[0], token=token)
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arr = arr.at[:2*halo_size].add(margin)
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margin = arr[:2*halo_size]
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margin, token = mpi4jax.sendrecv(margin, margin, rank_x+1, rank_x-1,
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comm=comms[0], token=token)
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arr = arr.at[-2*halo_size:].add(margin)
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# Perform halo exchange along y
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rank_y = comms[1].Get_rank()
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margin = arr[:, -2*halo_size:]
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margin, token = mpi4jax.sendrecv(margin, margin, rank_y-1, rank_y+1,
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comm=comms[0], token=token)
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arr = arr.at[:, :2*halo_size].add(margin)
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margin = arr[:, :2*halo_size]
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margin, token = mpi4jax.sendrecv(margin, margin, rank_y+1, rank_y-1,
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comm=comms[0], token=token)
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arr = arr.at[:, -2*halo_size:].add(margin)
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return arr, token
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@ -2,95 +2,130 @@ import jax
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import jax.numpy as jnp
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import jax.numpy as jnp
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import jax.lax as lax
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import jax.lax as lax
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from jaxpm.ops import halo_reduce
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from jaxpm.kernels import fftk, cic_compensation
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from jaxpm.kernels import fftk, cic_compensation
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def cic_paint(mesh, positions):
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""" Paints positions onto mesh
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mesh: [nx, ny, nz]
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positions: [npart, 3]
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"""
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positions = jnp.expand_dims(positions, 1)
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floor = jnp.floor(positions)
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connection = jnp.array([[[0, 0, 0], [1., 0, 0], [0., 1, 0],
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[0., 0, 1], [1., 1, 0], [1., 0, 1],
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[0., 1, 1], [1., 1, 1]]])
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neighboor_coords = floor + connection
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def cic_paint(mesh, positions, halo_size=0, token=None, comms=None):
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kernel = 1. - jnp.abs(positions - neighboor_coords)
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""" Paints positions onto mesh
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kernel = kernel[..., 0] * kernel[..., 1] * kernel[..., 2]
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mesh: [nx, ny, nz]
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positions: [npart, 3]
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"""
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if comms is not None:
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# Add some padding for the halo exchange
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mesh = jnp.pad(mesh, [[halo_size, halo_size],
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[halo_size, halo_size],
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[0, 0]])
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positions += jnp.array([halo_size, halo_size, 0]).reshape([-1, 3])
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neighboor_coords = jnp.mod(neighboor_coords.reshape([-1,8,3]).astype('int32'), jnp.array(mesh.shape))
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positions = jnp.expand_dims(positions, 1)
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floor = jnp.floor(positions)
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connection = jnp.array([[[0, 0, 0], [1., 0, 0], [0., 1, 0],
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[0., 0, 1], [1., 1, 0], [1., 0, 1],
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[0., 1, 1], [1., 1, 1]]])
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dnums = jax.lax.ScatterDimensionNumbers(
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neighboor_coords = floor + connection
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update_window_dims=(),
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kernel = 1. - jnp.abs(positions - neighboor_coords)
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inserted_window_dims=(0, 1, 2),
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kernel = kernel[..., 0] * kernel[..., 1] * kernel[..., 2]
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scatter_dims_to_operand_dims=(0, 1, 2))
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mesh = lax.scatter_add(mesh,
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neighboor_coords,
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kernel.reshape([-1,8]),
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dnums)
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return mesh
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def cic_read(mesh, positions):
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neighboor_coords = jnp.mod(neighboor_coords.reshape(
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""" Paints positions onto mesh
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[-1, 8, 3]).astype('int32'), jnp.array(mesh.shape))
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mesh: [nx, ny, nz]
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positions: [npart, 3]
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"""
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positions = jnp.expand_dims(positions, 1)
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floor = jnp.floor(positions)
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connection = jnp.array([[[0, 0, 0], [1., 0, 0], [0., 1, 0],
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[0., 0, 1], [1., 1, 0], [1., 0, 1],
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[0., 1, 1], [1., 1, 1]]])
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neighboor_coords = floor + connection
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dnums = jax.lax.ScatterDimensionNumbers(
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kernel = 1. - jnp.abs(positions - neighboor_coords)
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update_window_dims=(),
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kernel = kernel[..., 0] * kernel[..., 1] * kernel[..., 2]
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inserted_window_dims=(0, 1, 2),
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scatter_dims_to_operand_dims=(0, 1, 2))
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mesh = lax.scatter_add(mesh,
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neighboor_coords,
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kernel.reshape([-1, 8]),
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dnums)
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neighboor_coords = jnp.mod(neighboor_coords.astype('int32'), jnp.array(mesh.shape))
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if comms == None:
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return mesh
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else:
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mesh, token = halo_reduce(mesh, halo_size, token, comms)
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return mesh[halo_size:-halo_size, halo_size:-halo_size]
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def cic_read(mesh, positions, halo_size=0, token=None, comms=None):
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""" Paints positions onto mesh
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mesh: [nx, ny, nz]
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positions: [npart, 3]
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"""
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if comms is not None:
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# Add some padding and perfom hao exchange to retrieve
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# neighboring regions
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mesh = jnp.pad(mesh, [[halo_size, halo_size],
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[halo_size, halo_size],
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[0, 0]])
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mesh, token = halo_reduce(mesh, halo_size, token, comms)
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positions += jnp.array([halo_size, halo_size, 0]).reshape([-1, 3])
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positions = jnp.expand_dims(positions, 1)
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floor = jnp.floor(positions)
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connection = jnp.array([[[0, 0, 0], [1., 0, 0], [0., 1, 0],
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[0., 0, 1], [1., 1, 0], [1., 0, 1],
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[0., 1, 1], [1., 1, 1]]])
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neighboor_coords = floor + connection
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kernel = 1. - jnp.abs(positions - neighboor_coords)
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kernel = kernel[..., 0] * kernel[..., 1] * kernel[..., 2]
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neighboor_coords = jnp.mod(
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neighboor_coords.astype('int32'), jnp.array(mesh.shape))
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res = (mesh[neighboor_coords[..., 0],
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neighboor_coords[..., 1],
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neighboor_coords[..., 3]]*kernel).sum(axis=-1)
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if comms is not None:
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return res
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else:
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return res, token
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return (mesh[neighboor_coords[...,0],
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neighboor_coords[...,1],
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neighboor_coords[...,3]]*kernel).sum(axis=-1)
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def cic_paint_2d(mesh, positions, weight):
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def cic_paint_2d(mesh, positions, weight):
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""" Paints positions onto a 2d mesh
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""" Paints positions onto a 2d mesh
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mesh: [nx, ny]
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mesh: [nx, ny]
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positions: [npart, 2]
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positions: [npart, 2]
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weight: [npart]
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weight: [npart]
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"""
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"""
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positions = jnp.expand_dims(positions, 1)
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positions = jnp.expand_dims(positions, 1)
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floor = jnp.floor(positions)
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floor = jnp.floor(positions)
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connection = jnp.array([[0, 0], [1., 0], [0., 1], [1., 1]])
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connection = jnp.array([[0, 0], [1., 0], [0., 1], [1., 1]])
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neighboor_coords = floor + connection
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neighboor_coords = floor + connection
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kernel = 1. - jnp.abs(positions - neighboor_coords)
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kernel = 1. - jnp.abs(positions - neighboor_coords)
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kernel = kernel[..., 0] * kernel[..., 1]
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kernel = kernel[..., 0] * kernel[..., 1]
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if weight is not None:
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if weight is not None:
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kernel = kernel * weight[...,jnp.newaxis]
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kernel = kernel * weight[..., jnp.newaxis]
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neighboor_coords = jnp.mod(neighboor_coords.reshape([-1,4,2]).astype('int32'), jnp.array(mesh.shape))
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neighboor_coords = jnp.mod(neighboor_coords.reshape(
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[-1, 4, 2]).astype('int32'), jnp.array(mesh.shape))
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dnums = jax.lax.ScatterDimensionNumbers(
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update_window_dims=(),
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inserted_window_dims=(0, 1),
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scatter_dims_to_operand_dims=(0, 1))
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mesh = lax.scatter_add(mesh,
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neighboor_coords,
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kernel.reshape([-1, 4]),
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dnums)
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return mesh
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dnums = jax.lax.ScatterDimensionNumbers(
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update_window_dims=(),
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inserted_window_dims=(0, 1),
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scatter_dims_to_operand_dims=(0, 1))
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mesh = lax.scatter_add(mesh,
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neighboor_coords,
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kernel.reshape([-1,4]),
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dnums)
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return mesh
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def compensate_cic(field):
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def compensate_cic(field):
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"""
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"""
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Compensate for CiC painting
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Compensate for CiC painting
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Args:
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Args:
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field: input 3D cic-painted field
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field: input 3D cic-painted field
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Returns:
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Returns:
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compensated_field
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compensated_field
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"""
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"""
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nc = field.shape
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nc = field.shape
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kvec = fftk(nc)
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kvec = fftk(nc)
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delta_k = jnp.fft.rfftn(field)
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delta_k = jnp.fft.rfftn(field)
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delta_k = cic_compensation(kvec) * delta_k
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delta_k = cic_compensation(kvec) * delta_k
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return jnp.fft.irfftn(delta_k)
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return jnp.fft.irfftn(delta_k)
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