URL:
<http://gna.org/bugs/?9732>
Summary: Python 2.5
Project: relax
Submitted by: bugman
Submitted on: Sunday 08/12/2007 at 11:53
Category: relax's source code
Severity: 5 - Blocker
Priority: 9 - Immediate
Status: None
Privacy: Public
Assigned to: bugman
Originator Name:
Originator Email:
Open/Closed: Open
Discussion Lock: Any
Release: 1.2.10
Operating System: GNU/Linux
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Details:
When using Python 2.5, there is a fatal problem with the calculation of the
model-free part of the gradient when optimising the diffusion tensor
parameter together with the model-free parameters for all models. This
appears to be an issue with Python 2.5 together with Numeric python 24.2.
The problem does not occur when using Python 2.4 with the same Numeric
version.
Traceback (most recent call last):
File "/home/edward/relax/relax-1.2/relax", line 454, in <module>
Relax()
File "/home/edward/relax/relax-1.2/relax", line 166, in __init__
self.interpreter.run()
File "/home/edward/relax/relax-1.2/prompt/interpreter.py", line 213, in
run
run_script(intro=self.relax.intro_string, local=self.local,
script_file=self.relax.script_file, quit=1)
File "/home/edward/relax/relax-1.2/prompt/interpreter.py", line 388, in
run_script
console.interact(intro, local, script_file, quit)
File "/home/edward/relax/relax-1.2/prompt/interpreter.py", line 340, in
interact_script
execfile(script_file, local)
File "full_analysis_sphere.py", line 410, in <module>
Main()
File "full_analysis_sphere.py", line 220, in __init__
minimise('newton', run=name)
File "/home/edward/relax/relax-1.2/prompt/minimisation.py", line 365, in
minimise
self.relax.generic.minimise.minimise(run=run, min_algor=min_algor,
min_options=min_options, func_tol=func_tol, grad_tol=grad_tol,
max_iterations=max_iterations, constraints=constraints, scaling=scaling,
print_flag=print_flag)
File "/home/edward/relax/relax-1.2/generic_fns/minimise.py", line 139, in
minimise
minimise(run=run, min_algor=min_algor, min_options=min_options,
func_tol=func_tol, grad_tol=grad_tol, max_iterations=max_iterations,
constraints=constraints, scaling=scaling, print_flag=print_flag)
File "/home/edward/relax/relax-1.2/specific_fns/model_free.py", line 2372,
in minimise
results = generic_minimise(func=self.mf.func, dfunc=self.mf.dfunc,
d2func=self.mf.d2func, args=(), x0=self.param_vector, min_algor=min_algor,
min_options=min_options, func_tol=func_tol, grad_tol=grad_tol,
maxiter=max_iterations, A=A, b=b, full_output=1, print_flag=print_flag)
File "/home/edward/relax/relax-1.2/minimise/generic.py", line 397, in
generic_minimise
results = method_of_multipliers(func=func, dfunc=dfunc, d2func=d2func,
args=args, x0=x0, min_options=min_options, A=A, b=b, l=l, u=u, c=c, dc=dc,
d2c=d2c, func_tol=func_tol, grad_tol=grad_tol, maxiter=maxiter,
full_output=full_output, print_flag=print_flag)
File "/home/edward/relax/relax-1.2/minimise/method_of_multipliers.py", line
143, in method_of_multipliers
results = min.minimise()
File "/home/edward/relax/relax-1.2/minimise/method_of_multipliers.py", line
397, in minimise
results = self.generic_minimise(func=self.func_LA, dfunc=self.func_dLA,
d2func=self.func_d2LA, args=self.args, x0=self.xk, min_algor=self.min_algor,
min_options=self.min_options, func_tol=None, grad_tol=self.tk,
maxiter=maxiter, full_output=1, print_flag=sub_print_flag,
print_prefix="\t")
File "/home/edward/relax/relax-1.2/minimise/generic.py", line 328, in
generic_minimise
results = newton(func=func, dfunc=dfunc, d2func=d2func, args=args, x0=x0,
min_options=min_options, func_tol=func_tol, grad_tol=grad_tol,
maxiter=maxiter, full_output=full_output, print_flag=print_flag,
print_prefix=print_prefix)
File "/home/edward/relax/relax-1.2/minimise/newton.py", line 41, in newton
min = Newton(func, dfunc, d2func, args, x0, min_options, func_tol,
grad_tol, maxiter, a0, mu, eta, mach_acc, full_output, print_flag,
print_prefix)
File "/home/edward/relax/relax-1.2/minimise/newton.py", line 151, in
__init__
self.setup_newton()
File "/home/edward/relax/relax-1.2/minimise/newton.py", line 206, in
setup_newton
self.dfk, self.g_count = apply(self.dfunc, (self.xk,)+self.args),
self.g_count + 1
File "/home/edward/relax/relax-1.2/minimise/method_of_multipliers.py", line
310, in func_dLA
dfk = dL = apply(self.dfunc, (args[0],)+args[1:])
File "/home/edward/relax/relax-1.2/maths_fns/mf.py", line 883, in
dfunc_all
self.total_dchi2[data.start_index:data.end_index] =
self.total_dchi2[data.start_index:data.end_index] + data.dchi2[index:]
ValueError: frames are not aligned
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[bug #9732] Python 2.5