Merge branch 'startupScripts' of https://github.com/simpeg/simpeg into develop

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rowanc1 committed 2014-02-03 12:00:59 -08:00
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#!/usr/bin/python
"""
Input and output functions.
"""
import os as _os
import errno as _errno
import sys as _sys
import numpy as _np
from petsc4py import PETSc as _PETSc
import fileinput as _fl
def vecToArray(obj):
""" Converts a PETSc vector to a numpy array, available on *all* MPI nodes.
Args:
obj (petsc4py.PETSc.Vec): input vector.
Returns:
numpy.array :
"""
# scatter vector 'obj' to all processes
comm = obj.getComm()
scatter, obj0 = _PETSc.Scatter.toAll(obj)
scatter.scatter(obj, obj0, False, _PETSc.Scatter.Mode.FORWARD)
return _np.asarray(obj0)
# deallocate
comm.barrier()
scatter.destroy()
obj0.destroy()
def vecToArray0(obj):
""" Converts a PETSc vector to a numpy array available on MPI node 0.
Args:
obj (petsc4py.PETSc.Vec): input vector.
Returns:
numpy.array :
"""
# scatter vector 'obj' to process 0
comm = obj.getComm()
rank = comm.getRank()
scatter, obj0 = _PETSc.Scatter.toZero(obj)
scatter.scatter(obj, obj0, False, _PETSc.Scatter.Mode.FORWARD)
if rank == 0: return _np.asarray(obj0)
# deallocate
comm.barrier()
scatter.destroy()
obj0.destroy()
def arrayToVec(vecArray):
""" Converts a (global) array to a PETSc vector over :attr:`petsc4py.PETSc.COMM_WORLD`.
Args:
vecArray (array or numpy.array): input vector.
Returns:
petsc4py.PETSc.Vec() :
"""
vec = _PETSc.Vec().create(comm=_PETSc.COMM_WORLD)
vec.setSizes(len(vecArray))
vec.setUp()
(Istart,Iend) = vec.getOwnershipRange()
return vec.createWithArray(vecArray[Istart:Iend],
comm=_PETSc.COMM_WORLD)
vec.destroy()
def arrayToMat(matArray):
""" Converts a (global) 2D array to a PETSc matrix over :attr:`petsc4py.PETSc.COMM_WORLD`.
Args:
matArray (array or numpy.array): input square array.
:rtype: petsc4py.PETSc.Mat()
.. important::
Requires `SciPy <http://www.scipy.org>`_.
"""
try:
import scipy.sparse as sparse
except:
print '\nERROR: loading matrices from txt files requires Scipy!'
return
matSparse =matArray
mat = _PETSc.Mat().createAIJ(size=matSparse.shape,comm=_PETSc.COMM_WORLD)
(Istart,Iend) = mat.getOwnershipRange()
ai = matSparse.indptr[Istart:Iend+1] - matSparse.indptr[Istart]
aj = matSparse.indices[matSparse.indptr[Istart]:matSparse.indptr[Iend]]
av = matSparse.data[matSparse.indptr[Istart]:matSparse.indptr[Iend]]
mat.setValuesCSR(ai,aj,av)
mat.assemble()
return mat
mat.destroy()
def matToSparse(mat):
""" Converts a PETSc matrix to a (global) sparse matrix.
Args:
mat (petsc4py.PETSc.Mat): input PETSc matrix.
:rtype: scipy.sparse.csr_matrix
.. important::
Requires `SciPy <http://www.scipy.org>`_.
"""
import scipy.sparse as sparse
data = mat.getValuesCSR()
(Istart,Iend) = mat.getOwnershipRange()
columns = mat.getSize()[0]
sparseSubMat = sparse.csr_matrix(data[::-1],shape=(Iend-Istart,columns))
comm = _PETSc.COMM_WORLD
sparseSubMat = comm.tompi4py().allgather(sparseSubMat)
return sparse.vstack(sparseSubMat)
def adjToH(adj,d=[0],amp=[0.]):
""" Creates a 1 particle PETSc-type Hamiltonian matrix from a PETSc adjacency matrix.
Args:
adj (petsc4py.PETSc.Mat): input PETSc-type adjacency matrix.
d (array of ints): an array containing *integers* indicating the nodes
where diagonal defects are to be placed (e.g. ``d=[0,1,4]``).
amp (array of floats): an array containing *floats* indicating the diagonal defect
amplitudes corresponding to each element in ``d`` (e.g. ``amp=[0.5,-1,4.2]``).
Returns:
: 1 particle Hamiltonian matrix
:rtype: petsc4py.PETSc.Mat()
Warning:
* The size of ``a`` and ``d`` must be identical
>>> amp = [0.5,-1.,4.2]
>>> len(d) == len(amp)
True
* Elements of ``d`` can range from :math:`[0,N-1]` where the adjacency matrix is :math:`N\\times N`.
"""
(Istart,Iend) = adj.getOwnershipRange()
diagSum = []
for i in range(Istart,Iend):
diagSum.append(_np.sum(adj.getRow(i)[-1]))
for j,val in enumerate(d):
if i==val: diagSum[i-Istart] += amp[j]
mat = _PETSc.Mat().create(comm=_PETSc.COMM_WORLD)
mat.setSizes(adj.getSize())
mat.setUp()
for i in range(Istart,Iend):
mat.setValue(i,i,diagSum[i-Istart])
mat.assemble()
mat.axpy(-1,adj)
return mat
mat.destroy()
#~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
#---------------------- Vec I/O functions ---------------------------
#~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
def exportVec(vec,filename,filetype):
""" Export a PETSc vector to a file.
Args:
vec (petsc4py.PETSc.Vec): input vector.
filename (str): path to desired output file.
filetype (str): the filetype of the exported vector.
* ``'txt'`` - a column vector in text format.
* ``'bin'`` - a PETSc binary vector.
"""
if _os.path.isabs(filename):
outDir = _os.path.dirname(filename)
else:
outDir = './'+_os.path.dirname(filename)
# create output directory if it doesn't exist
try:
_os.mkdir(outDir)
except OSError as exception:
if exception.errno != _errno.EEXIST:
raise
if filetype == 'txt':
# scatter prob to process 0
comm = vec.getComm()
rank = comm.getRank()
scatter, vec0 = _PETSc.Scatter.toZero(vec)
scatter.scatter(vec, vec0, False, _PETSc.Scatter.Mode.FORWARD)
# use process 0 to write to text file
if rank == 0:
array0 = _np.asarray(vec0)
with open(filename,'w') as f:
for i in range(len(array0)):
f.write('{0: .12e}\n'.format(array0[i]))
# deallocate
comm.barrier()
scatter.destroy()
vec0.destroy()
elif filetype == 'bin':
binSave = _PETSc.Viewer().createBinary(filename, 'w')
binSave(vec)
binSave.destroy()
vec.comm.barrier()
def loadVec(filename,filetype):
""" Import a PETSc vector from a file.
Args:
filename (str): path to input file.
filetype (str): the filetype.
* ``'txt'`` - a column vector in text format.
* ``'bin'`` - a PETSc binary vector.
"""
if filetype == 'txt':
try:
vecArray = _np.loadtxt(filename,dtype=_PETSc.ScalarType)
return arrayToVec(vecArray)
except:
print "\nERROR: input state space file " + filename\
+ " does not exist or is in an incorrect format"
_sys.exit()
elif filetype == 'bin':
binLoad = _PETSc.Viewer().createBinary(filename, 'r')
try:
return _PETSc.Vec().load(binLoad)
except:
print "\nERROR: input state space file " + filename\
+ " does not exist or is in an incorrect format"
_sys.exit()
binLoad.destroy()
#~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
#---------------------- Mat I/O functions ---------------------------
#~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
def exportMat(mat,filename,filetype,mattype=None):
""" Export a PETSc matrix to a file.
Args:
mat (petsc4py.PETSc.Mat): input matrix.
filename (str): path to desired output file.
filetype (str): the filetype of the exported vector.
* ``'txt'`` - a 2D matrix array in text format.
* ``'bin'`` - a PETSc binary matrix.
mattype (str): (``None``,``'adj'``) - if set to ``adj``, only
integers ``0`` and ``1`` are written. Note
that this only applied in ``txt`` mode.
"""
rank = _PETSc.Comm.Get_rank(_PETSc.COMM_WORLD)
if _os.path.isabs(filename):
outDir = _os.path.dirname(filename)
else:
outDir = './'+_os.path.dirname(filename)
# create output directory if it doesn't exist
try:
_os.mkdir(outDir)
except OSError as exception:
if exception.errno != _errno.EEXIST:
raise
if filetype == 'txt':
txtSave = _PETSc.Viewer().createASCII(filename, 'w',
format=_PETSc.Viewer.Format.ASCII_DENSE, comm=_PETSc.COMM_WORLD)
txtSave(mat)
txtSave.destroy()
if rank == 0:
for line in _fl.FileInput(filename,inplace=1):
if line[2] != 't':
if mattype == 'adj':
line = line.replace(" i","j")
line = line.replace(" -","-")
line = line.replace("+-","-")
line = line.replace("0000e+01+0.00000e+00j","")
line = line.replace(".00000e+00+0.00000e+00j","")
line = line.replace(".","")
line = line.replace(" -","\t-")
line = line.replace(" ","\t")
line = line.replace(" ","")
line = line.replace("\t"," ")
print line,
else:
line = line.replace(" i","j")
line = line.replace(" -","-")
line = line.replace("+-","-")
print line,
elif filetype == 'bin':
binSave = _PETSc.Viewer().createBinary(filename, 'w', comm=_PETSc.COMM_WORLD)
binSave(mat)
binSave.destroy()
mat.comm.barrier()
def loadMat(filename,filetype,delimiter=None):
""" Import a PETSc matrix from a file.
Args:
filename (str): path to input file.
filetype (str): the filetype.
* ``'txt'`` - a 2D matrix array in text format.
* ``'bin'`` - a PETSc matrix vector.
delimiter (str): this is passed to `numpy.genfromtxt\
<http://docs.scipy.org/doc/numpy/reference/generated/numpy.genfromtxt.html>`_
in the case of strange delimiters in an imported ``txt`` file.
"""
if filetype == 'txt':
try:
try:
if delimiter is None:
matArray = _np.genfromtxt(filename,dtype=_PETSc.ScalarType)
else:
matArray = _np.genfromtxt(filename,dtype=_PETSc.ScalarType,delimiter=delimiter)
except:
filefix = []
for line in _fl.FileInput(filename,inplace=0):
if line[2] != 't':
line = line.replace(" i","j")
line = line.replace(" -","-")
line = line.replace("+-","-")
filefix.append(line)
matArray = _np.genfromtxt(filefix,dtype=_PETSc.ScalarType)
return arrayToMat(matArray)
except:
print "\nERROR: input state space file " + filename\
+ " does not exist or is in an incorrect format"
_sys.exit()
elif filetype == 'bin':
binLoad = _PETSc.Viewer().createBinary(filename, 'r')
try:
return _PETSc.Mat().load(binLoad)
except:
print "\nERROR: input state space file " + filename\
+ " does not exist or is in an incorrect format"
_sys.exit()
binLoad.destroy()
def exportVecToMat(vec,filename,filetype):
""" Export a :math:`N^2` element PETSc vector as a :math:`N\\times N` matrix.
This is useful when wanting to view the full statespace of a 2 particle
quantum walk.
Args:
vec (petsc4py.PETSc.Vec): input :math:`N^2` element vector.
filename (str): path to desired output file.
filetype (str): the filetype of the exported vector.
* ``'txt'`` - an :math:`N\\times N` 2D matrix array in text format.
* ``'bin'`` - an :math:`N\\times N` PETSc binary matrix.
"""
rank = _PETSc.Comm.Get_rank(_PETSc.COMM_WORLD)
if _os.path.isabs(filename):
outDir = _os.path.dirname(filename)
else:
outDir = './'+_os.path.dirname(filename)
# create output directory if it doesn't exist
try:
_os.mkdir(outDir)
except OSError as exception:
if exception.errno != _errno.EEXIST:
raise
vecArray = vecToArray(vec)
matArray = vecArray.reshape([_np.sqrt(vecArray.size),_np.sqrt(vecArray.size)])
if filetype == 'txt':
#if rank == 0: _np.savetxt(filename,matArray)
txtSave = _PETSc.Viewer().createASCII(filename, 'w',
format=_PETSc.Viewer.Format.ASCII_DENSE, comm=_PETSc.COMM_WORLD)
txtSave(arrayToMat(matArray))
txtSave.destroy()
if rank == 0:
for line in _fl.FileInput(filename,inplace=1):
if line[2] != 't':
line = line.replace(" i","j")
line = line.replace(" -","-")
line = line.replace("+-","-")
print line,
elif filetype == 'bin':
binSave = _PETSc.Viewer().createBinary(filename, 'w', comm=_PETSc.COMM_WORLD)
binSave(arrayToMat(matArray))
binSave.destroy()
vec.comm.barrier()
def loadMatToVec(filename,filetype):
""" Load a :math:`N\\times N` matrix as a :math:`N^2` element PETSc vector.
This is useful when wanting to import the full statespace of a 2 particle
quantum walk to use for propagation.
Args:
filename (str): path to the input file.
filetype (str): the filetype
* ``'txt'`` - an :math:`N\\times N` 2D matrix array in text format.
* ``'bin'`` - **Not yet implemented! Please use a txt \
format for this type of import**.
"""
if filetype == 'txt':
try:
try:
matArray = _np.loadtxt(filename,dtype=_PETSc.ScalarType)
except:
filefix = []
for line in _fl.FileInput(filename,inplace=0):
if line[2] != 't':
line = line.replace(" i","j")
line = line.replace(" -","-")
line = line.replace("+-","-")
filefix.append(line)
matArray = _np.loadtxt(filefix,dtype=_PETSc.ScalarType)
vecArray = matArray.reshape(matArray.shape[0]**2)
return arrayToVec(vecArray)
except:
print "\nERROR: input state space file " + filename\
+ " does not exist or is in an incorrect format"
_sys.exit()
elif filetype == 'bin':
print '\nERROR: only works for txt storage!'
_sys.exit()
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{
"metadata": {
"name": ""
},
"nbformat": 3,
"nbformat_minor": 0,
"worksheets": [
{
"cells": [
{
"cell_type": "code",
"collapsed": false,
"input": [
"from SimPEG import *\n",
"%pylab inline"
],
"language": "python",
"metadata": {},
"outputs": [
{
"output_type": "stream",
"stream": "stdout",
"text": [
"Populating the interactive namespace from numpy and matplotlib\n"
]
}
],
"prompt_number": 4
},
{
"cell_type": "code",
"collapsed": false,
"input": [
"M = mesh.TensorMesh([20,30]) \n",
"A = M.faceDiv*M.faceDiv.T + sp.identity(M.nC)\n",
"b = np.random.rand(M.nC)"
],
"language": "python",
"metadata": {},
"outputs": [],
"prompt_number": 35
},
{
"cell_type": "code",
"collapsed": false,
"input": [
"phi = Solver(A).solve(b)\n",
"colorbar(M.plotImage(phi))"
],
"language": "python",
"metadata": {},
"outputs": [
{
"metadata": {},
"output_type": "pyout",
"prompt_number": 37,
"text": [
"<matplotlib.colorbar.Colorbar instance at 0x6c411b8>"
]
},
{
"metadata": {},
"output_type": "display_data",
"png": 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truncated
"text": [
"<matplotlib.figure.Figure at 0x67e6050>"
]
}
],
"prompt_number": 37
},
{
"cell_type": "code",
"collapsed": false,
"input": [
"print np.linalg.norm(A*phi-b)"
],
"language": "python",
"metadata": {},
"outputs": [
{
"output_type": "stream",
"stream": "stdout",
"text": [
"1.5220841846e-13\n"
]
}
],
"prompt_number": 38
},
{
"cell_type": "code",
"collapsed": false,
"input": [
"import petsc4py\n",
"import sys\n",
"petsc4py.init(sys.argv)\n",
"from petsc4py import PETSc"
],
"language": "python",
"metadata": {},
"outputs": [],
"prompt_number": 39
},
{
"cell_type": "code",
"collapsed": false,
"input": [
"import PETScIO as IO\n",
"Apetsc = PETSc.Mat().createAIJ(size=A.shape,csr=(A.indptr, A.indices, A.data))\n",
"bpetsc = IO.arrayToVec(b)\n",
"xpetsc = IO.arrayToVec(0*b)"
],
"language": "python",
"metadata": {},
"outputs": [],
"prompt_number": 40
},
{
"cell_type": "code",
"collapsed": false,
"input": [
"ksp = PETSc.KSP().create()\n",
"pc = PETSc.PC().create()\n",
"\n",
"ksp.setOperators(Apetsc)\n",
"\n",
"ksp.setType(ksp.Type.CG)\n",
"pc = ksp.getPC()\n",
"pc.setType(pc.Type.HYPRE)\n",
"ksp.view()\n",
"\n",
"ksp.solve(bpetsc, xpetsc)\n",
"print ksp.its"
],
"language": "python",
"metadata": {},
"outputs": [
{
"output_type": "stream",
"stream": "stdout",
"text": [
"3\n"
]
}
],
"prompt_number": 76
},
{
"cell_type": "code",
"collapsed": false,
"input": [
"X = IO.vecToArray(xpetsc)\n",
"print np.linalg.norm(A*X-b)\n",
"M.plotImage(X)"
],
"language": "python",
"metadata": {},
"outputs": [
{
"output_type": "stream",
"stream": "stdout",
"text": [
"0.000199616893249\n"
]
},
{
"metadata": {},
"output_type": "pyout",
"prompt_number": 77,
"text": [
"<matplotlib.collections.QuadMesh at 0x792ae50>"
]
},
{
"metadata": {},
"output_type": "display_data",
"png": 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truncated
"text": [
"<matplotlib.figure.Figure at 0x77479d0>"
]
}
],
"prompt_number": 77
},
{
"cell_type": "code",
"collapsed": false,
"input": [],
"language": "python",
"metadata": {},
"outputs": []
}
],
"metadata": {}
}
]
}
+145
View File
@@ -0,0 +1,145 @@
#! /bin/bash
locale-gen en_US en_US.UTF-8 hu_HU hu_HU.UTF-8 > output.t
dpkg-reconfigure locales >> output.t
sudo apt-get update >> output.t
echo " "
echo " "
echo " ============================================"
echo " | Installing packages form package manager |"
echo " ============================================"
echo " "
echo " "
sudo apt-get -y install aptitude >> output.t
packages=(gcc gfortran git libopenmpi-dev python-pip python-dev git flex bison cmake vim cython ipython python-scipy python-numpy python-nose python-pip python-matplotlib python-vtk python-h5py libmumps-ptscotch-4.10.0 libmumps-ptscotch-dev libblas-dev liblapack-dev )
for item in ${packages[*]}
do
printf " %-30s\n" $item
done
for item in ${packages[*]}
do
tput cuu1
done
for item in ${packages[*]}
do
sudo aptitude -y install $item >> output.t
printf " %-30s %-4s\n" $item done
done
echo " "
echo " "
echo " ====================================="
echo " | Installing extra Python libraries |"
echo " ====================================="
echo " "
echo " "
pipPackages=(mpi4py pymumps)
for item in ${pipPackages[*]}
do
printf " %-30s\n" $item
done
for item in ${pipPackages[*]}
do
tput cuu1
done
for item in ${pipPackages[*]}
do
sudo pip install $item >> output.t
printf " %-30s %-4s\n" $item done
done
Upgrade=(scipy numpy ipython)
for item in ${Upgrade[*]}
do
printf " %-8s%-7s\n" $item upgrade
done
for item in ${Upgrade[*]}
do
tput cuu1
done
for item in ${Upgrade[*]}
do
sudo pip install $item --upgrade >> output.t
printf " %-8s%-7s %-4s\n" $item upgrade done
done
echo " "
echo " "
echo " ====================="
echo " | Installing SimPEG |"
echo " ====================="
echo " "
echo " "
cd ~
git clone https://github.com/simpeg/simpeg.git >> output.t
cd simpeg/SimPEG/
python setup.py >> output.t
cd ~
mkdir petsc
cd petsc
echo " "
echo " "
echo " ===================="
echo " | Installing PETSc |"
echo " ===================="
echo " "
echo " "
wget http://ftp.mcs.anl.gov/pub/petsc/release-snapshots/petsc-3.4.3.tar.gz
tar -zxf petsc-3.4.3.tar.gz
cd petsc-3.4.3
./configure --with-debugging=no --dowload-mpich=yes --download-blacs=yes --download-f-blas-lapack=yes --download-scalapack=yes --download-mumps=yes --download-ml=yes --download-spooles=yes --download-hypre=yes --dowload-trilinos=yes --download-metis=yes --download-parmetis=yes --download-umfpack=yes --download-ptscotch=yes --download-superlu=yes --download-superlu_dist=yes --download-essl=yes --download-eucild=yes --download-spai=yes --download-mpi4py=yes --download-petsc4py=yes --download-scientificpython=yes
echo "export PETSC_DIR=/home/${USER}/petsc/petsc-3.4.3" >> ~/.bashrc
echo "export PETSC_ARCH=arch-linux2-c-opt" >> ~/.bashrc
export PETSC_DIR=/home/${USER}/petsc/petsc-3.4.3
export PETSC_ARCH=arch-linux2-c-opt
. ~/.bashrc
make PETSC_DIR=/home/${USER}/petsc/petsc-3.4.3 PETSC_ARCH=arch-linux2-c-opt all
make PETSC_DIR=/home/${USER}/petsc/petsc-3.4.3 PETSC_ARCH=arch-linux2-c-opt test
cd ~/petsc
echo " "
echo " "
echo " ======================="
echo " | Installing PETSc4PY |"
echo " ======================="
echo " "
echo " "
git clone https://bitbucket.org/petsc/petsc4py.git
cd petsc4py/
python setup.py build >> output.t
python setup.py install --prefix=~/petsc >> output.t
echo "export PYTHONPATH=~/petsc/lib/python2.7/site-packages:/home/$USER/simpeg:${PYTHONPATH}" >> ~/.bashrc
cd ~
source ~/.bashrc