Deadlock on projection of analytic functions

[bjorgve]

The package deadlocks when analytic functions are projected when the library is build using omp

[robertodr]

This is annoying and needs to be solved. Might be something with the global interpreter lock (GIL)

[robertodr]

@bjorgve do you still have the example demonstrating the failure? I cannot access it anymore from the Slack chat...

[robertodr]

import numpy as np
import vampyr as vp


min_scale = -4
max_depth = 25
order = 5
prec = 1e-3
beta = 100.0
mu = 10.0
corner = [-1, -1, -1]
boxes = [2, 2, 2]
world = vp.vampyr3d.BoundingBox(min_scale, corner, boxes)
basis = vp.InterpolatingBasis(order)
MRA = vp.vampyr3d.MultiResolutionAnalysis(world, basis, max_depth)
mid = 0.0

#gauss = vp.vampyr3d.GaussFunc(100, 1.0)

def gauss(x):
    return np.exp(100*(x[0]**2 + x[1]**2 + x[2]**2))


g_tree = vp.vampyr3d.FunctionTree(MRA)
vp.project(prec, g_tree, gauss)

[robertodr]

Still deadlocking 😞 and I also get this warning: deadlock.py:26: RuntimeWarning: overflow encountered in exp return np.exp(beta * (x[0]**2 + x[1]**2 + x[2]**2))

[robertodr]

import numpy as np

import vampyr as vp


# define bounding box
min_scale = -4
corner = [-1, -1, -1]
boxes = [2, 2, 2]
world = vp.vampyr3d.BoundingBox(min_scale, corner, boxes)

# define polynpomial basis
order=5
basis = vp.InterpolatingBasis(order)

# initialize multiresolution analysis
max_depth = 25
MRA = vp.vampyr3d.MultiResolutionAnalysis(world, basis, max_depth)

# gaussian exponent
beta = 100.0
# precision
prec = 1.0e-3

def gauss_2(*, beta, x):
    return np.exp(-beta * (x[0]**2 + x[1]**2 + x[2]**2))


gauss_1 = vp.vampyr3d.GaussFunc(beta, 1.0)
tree_1 = vp.vampyr3d.FunctionTree(MRA)
vp.project(prec, tree_1, gauss_1)
print(f"Gaussian defined with MRCPP primitive:\n{tree_1}")

tree_2 = vp.vampyr3d.FunctionTree(MRA)
vp.project(prec, tree_2, lambda x: gauss_2(beta=beta, x=x))
print(f"Gaussian defined analytically:\n{tree_2}")