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Merge branch 'main' of github.com:flatironinstitute/fmm2d
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@mrachh
mrachh committed Feb 15, 2024
2 parents acd6398 + 4f1794e commit 74d10fe
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Showing 21 changed files with 868 additions and 953 deletions.
6 changes: 3 additions & 3 deletions examples/hfmm2d_example.make
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Original file line number Diff line number Diff line change
@@ -1,7 +1,7 @@
OS = osx

#HOST = gcc
HOST = gcc-openmp
HOST = gcc
#HOST = gcc-openmp
#HOST = intel
#HOST = intel-openmp

Expand Down Expand Up @@ -32,7 +32,7 @@ endif

ifeq ($(HOST),gcc)
FC=gfortran -L${LDFMM}
FFLAGS=-fPIC -O3 -funroll-loops -march=native
FFLAGS=-fPIC -O3 -funroll-loops -march=native -std=legacy
endif

ifeq ($(HOST),gcc-openmp)
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2 changes: 1 addition & 1 deletion make.inc.windows.mingw
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Original file line number Diff line number Diff line change
Expand Up @@ -4,7 +4,7 @@
# OpenMP: default enabled unless specified
#

FFLAGS= -fPIC -O3 -funroll-loops
FFLAGS= -fPIC -O3 -funroll-loops -std=legacy

DYNAMICLIB = $(LIBNAME).dll
LIMPLIB = $(LIBNAME)_dll.lib
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2 changes: 1 addition & 1 deletion makefile
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Original file line number Diff line number Diff line change
Expand Up @@ -272,7 +272,7 @@ test/bhfmm2d:
#python
python: $(STATICLIB)
cd python && \
FMM_FLIBS='$(LIBS) $(OMPFLAGS)' FMM_FFLAGS='$(FFLAGS)' $(PYTHON) -m pip install -e .
FMM_FLIBS='$(LIBS) $(OMPFLAGS)' FMM_FFLAGS='$(FFLAGS)' $(PYTHON) -m pip install . --verbose

python-dist: $(STATICLIB)
cd python && \
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120 changes: 67 additions & 53 deletions python/fmm2dpy/fmm2d.py
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Original file line number Diff line number Diff line change
Expand Up @@ -983,13 +983,14 @@ def bhfmm2d(*,eps,sources,charges=None,dipoles=None,
.. math::
u(x) = \sum_{j=1}^{N} c_{j} * log\(\|x-x_{j}\|\) +
\overline{c}_{j} (x-x_{j})/(\overline{x-x_{j}) + d_{j,1}/(x-x_{j}) +
d_{j,2}/(\overline{x-x_{j}}) -
\overline{d_{j,1}} (x-x_{j})/(\overline{x-x_{j}})^2\, ,
u(x) = \sum_{j=1}^{N} 2 c_{j,1} * log\(\|x-x_{j}\|\) +
c_{j,2} (x-x_{j})/(\overline{x-x_{j}) + d_{j,1}/(x-x_{j}) +
d_{j,3}/(\overline{x-x_{j}}) +
d_{j,2} (x-x_{j})/(\overline{x-x_{j}})^2\, ,
where $c_{j}$ are the charge densities, $d_{j,1}$, $d_{j,2}$ are the dipole strengths,
and $x_{j}$ are the source locations.
where $c_{j,1}$, $c_{j,2}$ are the charge densities, $d_{j,1}$, $d_{j,2}$,
$d_{j,3}$ are the dipole strengths, and $x_{j}$ are the
source locations.
When $x=x_{m}$, the term corresponding to $x_{m}$ is dropped from the
sum
Expand All @@ -1001,10 +1002,10 @@ def bhfmm2d(*,eps,sources,charges=None,dipoles=None,
sources: float(2,n)
source locations (x_{j})
charges: complex(nd,n) or complex(n)
charge densities (c_{j})
dipoles: complex(nd,2,n) or complex(2,n)
dipole densities (d_{j,1}, d_{j,2})
charges: complex(nd,2,n) or complex(2,n)
charge densities (c_{j,1}, c_{j,2})
dipoles: complex(nd,3,n) or complex(3,n)
dipole densities (d_{j,1}, d_{j,2}, d_{j,3})
targets: float(2,nt)
target locations (x)
pg: integer
Expand Down Expand Up @@ -1043,27 +1044,28 @@ def bhfmm2d(*,eps,sources,charges=None,dipoles=None,
print("Nothing to compute, set either pg or pgt to non-zero")
return out
if charges is not None:
if nd == 1:
assert charges.shape[0] == ns, "Charges must be same length as second dimension of sources"
charges = charges.reshape(1,ns)
if nd == 1 and ns>1:
assert charges.shape[0] == 2 and charges.shape[1] == ns, "Charges must be of shape [2, number of source]"
if nd == 1 and ns==1:
assert charges.shape[0] == 2, "Charges must of shape [2, number of sources]"
if nd>1:
assert charges.shape[0] == nd and charges.shape[1]==ns, "Charges must be of shape [nd,ns] where nd is number of densities, and ns is number of sources"
assert charges.shape[0] == nd and charges.shape[1] == 2 and charges.shape[2]==ns, "Charges must be of shape [nd,2,ns] where nd is number of densities, and ns is number of sources"
ifcharge = 1
charges = charges.reshape([nd,ns])
charges = charges.reshape([nd,2,ns])
else:
charges = np.zeros([nd,ns],dtype='complex')
charges = np.zeros([nd,2,ns],dtype='complex')

if(dipoles is not None):
if nd == 1 and ns>1:
assert dipoles.shape[0] == 2 and dipoles.shape[1] == ns, "Dipole must of shape [2, number of sources]"
assert dipoles.shape[0] == 3 and dipoles.shape[1] == ns, "Dipole must of shape [3, number of sources]"
if nd == 1 and ns==1:
assert dipoles.shape[0] == 2, "Dipole must of shape [2, number of sources]"
assert dipoles.shape[0] == 3, "Dipole must of shape [3, number of sources]"
if nd>1:
assert dipoles.shape[0] == nd and dipoles.shape[1] == 2 and dipoles.shape[2]==ns, "Dipole must of shape [nd,2, number of sources]"
dipoles = dipoles.reshape([nd,2,ns])
assert dipoles.shape[0] == nd and dipoles.shape[1] == 3 and dipoles.shape[2]==ns, "Dipole must of shape [nd,2, number of sources]"
dipoles = dipoles.reshape([nd,3,ns])
ifdipole = 1
else:
dipoles = np.zeros([nd,2,ns],dtype='complex')
dipoles = np.zeros([nd,3,ns],dtype='complex')
if(targets is not None):
assert targets.shape[0] == 2, "The first dimension of targets must be 2"
iftarg = 1
Expand All @@ -1079,11 +1081,11 @@ def bhfmm2d(*,eps,sources,charges=None,dipoles=None,
if(pgt>0):
out.pottarg = out.pottarg.reshape(nt,)
if(pgt==2):
out.gradtarg = out.gradtarg.reshape(2,nt)
out.gradtarg = out.gradtarg.reshape(3,nt)
if(pg>0):
out.pot = out.pot.reshape(ns,)
if(pg==2):
out.grad = out.grad.reshape(2,ns)
out.grad = out.grad.reshape(3,ns)

if(pg<2):
out.grad = None
Expand Down Expand Up @@ -1574,7 +1576,6 @@ def c2ddir(*,sources,targets,charges=None,dipstr=None,

def bh2ddir(*,sources,targets,charges=None,dipoles=None,
pgt=0,nd=1,thresh=1e-16):

r"""
This subroutine computes the N-body biharmonic interactions
in two dimensions where the interaction kernel is related to the
Expand All @@ -1583,13 +1584,14 @@ def bh2ddir(*,sources,targets,charges=None,dipoles=None,
.. math::
u(x) = \sum_{j=1}^{N} c_{j} * log\(\|x-x_{j}\|\) +
\overline{c}_{j} (x-x_{j})/(\overline{x-x_{j}) + d_{j,1}/(x-x_{j}) -
d_{j,2}/(\overline{x-x_{j}}) -
\overline{d_{j,1}} (x-x_{j})/(\overline{x-x_{j}})^2\, ,
u(x) = \sum_{j=1}^{N} 2 c_{j,1} * log\(\|x-x_{j}\|\) +
c_{j,2} (x-x_{j})/(\overline{x-x_{j}) + d_{j,1}/(x-x_{j}) +
d_{j,3}/(\overline{x-x_{j}}) +
d_{j,2} (x-x_{j})/(\overline{x-x_{j}})^2\, ,
where $c_{j}$ are the charge densities, $d_{j,1}$, $d_{j,2}$ are the dipole strengths,
and $x_{j}$ are the source locations.
where $c_{j,1}$, $c_{j,2}$ are the charge densities, $d_{j,1}$, $d_{j,2}$,
$d_{j,3}$ are the dipole strengths, and $x_{j}$ are the
source locations.
When $x=x_{m}$, the term corresponding to $x_{m}$ is dropped from the
sum
Expand All @@ -1601,10 +1603,10 @@ def bh2ddir(*,sources,targets,charges=None,dipoles=None,
sources: float(2,n)
source locations (x_{j})
charges: complex(nd,n) or complex(n)
charge densities (c_{j})
dipoles: complex(nd,2,n) or complex(2,n)
dipole densities (d_{j,1}, d_{j,2})
charges: complex(nd,2,n) or complex(2,n)
charge densities (c_{j,1}, c_{j,2})
dipoles: complex(nd,3,n) or complex(3,n)
dipole densities (d_{j,1}, d_{j,2}, d_{j,3})
targets: float(2,nt)
target locations (x)
pgt: integer
Expand All @@ -1614,7 +1616,6 @@ def bh2ddir(*,sources,targets,charges=None,dipoles=None,
nd: integer
number of densities
thresh: contribution of source x_i, at location x ignored if |x-x_i|<=thresh
Returns:
out.pottarg: potential at target locations if requested
Expand All @@ -1640,27 +1641,28 @@ def bh2ddir(*,sources,targets,charges=None,dipoles=None,
ifdipole = 0
iftarg = 0
if charges is not None:
if nd == 1:
assert charges.shape[0] == ns, "Charges must be same length as second dimension of sources"
charges = charges.reshape(1,ns)
if nd == 1 and ns>1:
assert charges.shape[0] == 2 and charges.shape[1] == ns, "Charges must be of shape [2, number of source]"
if nd == 1 and ns==1:
assert charges.shape[0] == 2, "Charges must of shape [2, number of sources]"
if nd>1:
assert charges.shape[0] == nd and charges.shape[1]==ns, "Charges must be of shape [nd,ns] where nd is number of densities, and ns is number of sources"
charges = charges.reshape([nd,ns])
assert charges.shape[0] == nd and charges.shape[1] == 2 and charges.shape[2]==ns, "Charges must be of shape [nd,2,ns] where nd is number of densities, and ns is number of sources"
ifcharge = 1
charges = charges.reshape([nd,2,ns])
else:
charges = np.zeros([nd,ns],dtype='complex')
charges = np.zeros([nd,2,ns],dtype='complex')

if(dipoles is not None):
if nd == 1 and ns>1:
assert dipoles.shape[0] == 2 and dipoles.shape[1] == ns, "Dipole must of shape [2, number of sources]"
assert dipoles.shape[0] == 3 and dipoles.shape[1] == ns, "Dipole must of shape [3, number of sources]"
if nd == 1 and ns==1:
assert dipoles.shape[0] == 2, "Dipole must of shape [2, number of sources]"
assert dipoles.shape[0] == 3, "Dipole must of shape [3, number of sources]"
if nd>1:
assert dipoles.shape[0] == nd and dipoles.shape[1] == 2 and dipoles.shape[2]==ns, "Dipole must of shape [nd,2, number of sources]"
dipoles = dipoles.reshape([nd,2,ns])
assert dipoles.shape[0] == nd and dipoles.shape[1] == 3 and dipoles.shape[2]==ns, "Dipole must of shape [nd,2, number of sources]"
dipoles = dipoles.reshape([nd,3,ns])
ifdipole = 1
else:
dipoles = np.zeros([nd,2,ns],dtype='complex')
dipoles = np.zeros([nd,3,ns],dtype='complex')

assert targets.shape[0] == 2, "The first dimension of targets must be 2"
nt = targets.shape[1]
Expand All @@ -1682,13 +1684,13 @@ def bh2ddir(*,sources,targets,charges=None,dipoles=None,
if(pgt>0):
out.pottarg = out.pottarg.reshape(nt,)
if(pgt==2):
out.gradtarg = out.gradtarg.reshape(2,nt,)
out.gradtarg = out.gradtarg.reshape(3,nt,)

return out



def comperr(*,ntest,out,outex,pg=0,pgt=0,nd=1,cauchy=0):
def comperr(*,ntest,out,outex,pg=0,pgt=0,nd=1,cauchy=0,bh=0):
r = 0
err = 0
if(nd == 1):
Expand All @@ -1700,9 +1702,12 @@ def comperr(*,ntest,out,outex,pg=0,pgt=0,nd=1,cauchy=0):
r = r+la.norm(outex.pot.real[0:ntest])**2
err = err+la.norm(outex.pot.real[0:ntest]-out.pot.real[0:ntest])**2
if(pg >= 2):
if(cauchy==0):
if(cauchy==0 and bh == 0):
g = out.grad[:,0:ntest].reshape(2*ntest,)
gex = outex.grad[:,0:ntest].reshape(2*ntest,)
elif(cauchy==0 and bh==1):
g = out.grad[:,0:ntest].reshape(3*ntest,)
gex = outex.grad[:,0:ntest].reshape(3*ntest,)
else:
g = out.grad[0:ntest].reshape(ntest,)
gex = outex.grad[0:ntest].reshape(ntest,)
Expand All @@ -1718,16 +1723,19 @@ def comperr(*,ntest,out,outex,pg=0,pgt=0,nd=1,cauchy=0):
r = r + la.norm(hhex)**2
err = err + la.norm(hhex-h)**2
if(pgt > 0):
if(cauchy==0):
if(cauchy==0 and bh == 0):
r = r+la.norm(outex.pottarg[0:ntest])**2
err = err+la.norm(outex.pottarg[0:ntest]-out.pottarg[0:ntest])**2
else:
r = r+la.norm(outex.pottarg.real[0:ntest])**2
err = err+la.norm(outex.pottarg.real[0:ntest]-out.pottarg.real[0:ntest])**2
if(pgt >= 2):
if(cauchy==0):
if(cauchy==0 and bh==0):
g = out.gradtarg[:,0:ntest].reshape(2*ntest,)
gex = outex.gradtarg[:,0:ntest].reshape(2*ntest,)
elif(cauchy==0 and bh==1):
g = out.gradtarg[:,0:ntest].reshape(3*ntest,)
gex = outex.gradtarg[:,0:ntest].reshape(3*ntest,)
else:
g = out.gradtarg[0:ntest].reshape(ntest,)
gex = outex.gradtarg[0:ntest].reshape(ntest,)
Expand All @@ -1753,9 +1761,12 @@ def comperr(*,ntest,out,outex,pg=0,pgt=0,nd=1,cauchy=0):
r = r+la.norm(pex)**2
err = err+la.norm(p-pex)**2
if(pg >= 2):
if(cauchy==0):
if(cauchy==0 and bh==0):
g = out.grad[:,:,0:ntest].reshape(2*nd*ntest,)
gex = outex.grad[:,:,0:ntest].reshape(2*nd*ntest,)
elif(cauchy==0 and bh==1):
g = out.grad[:,:,0:ntest].reshape(3*nd*ntest,)
gex = outex.grad[:,:,0:ntest].reshape(3*nd*ntest,)
else:
g = out.grad[:,0:ntest].reshape(nd*ntest,)
gex = outex.grad[:,0:ntest].reshape(nd*ntest,)
Expand All @@ -1780,9 +1791,12 @@ def comperr(*,ntest,out,outex,pg=0,pgt=0,nd=1,cauchy=0):
r = r+la.norm(pex)**2
err = err+la.norm(p-pex)**2
if(pgt >= 2):
if(cauchy==0):
if(cauchy==0 and bh==0):
g = out.gradtarg[:,:,0:ntest].reshape(2*nd*ntest,)
gex = outex.gradtarg[:,:,0:ntest].reshape(2*nd*ntest,)
elif(cauchy==0 and bh==1):
g = out.gradtarg[:,:,0:ntest].reshape(3*nd*ntest,)
gex = outex.gradtarg[:,:,0:ntest].reshape(3*nd*ntest,)
else:
g = out.gradtarg[:,0:ntest].reshape(nd*ntest,)
gex = outex.gradtarg[:,0:ntest].reshape(nd*ntest,)
Expand Down
2 changes: 1 addition & 1 deletion python/pyproject.toml
View file
Original file line number Diff line number Diff line change
@@ -1,3 +1,3 @@
[build-system]
requires = ["numpy"]
requires = ["setuptools", "numpy"]
build-backend = "setuptools.build_meta"
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