URL:
<http://gna.org/bugs/?7296>
Summary: Potential full analysis read problem
Project: relax
Submitted by: viochemist
Submitted on: Tuesday 10/03/2006 at 18:20
Category: None
Priority: 5 - Normal
Severity: 4 - Important
Status: None
Privacy: Public
Assigned to: None
Originator Name:
Originator Email:
Open/Closed: Open
Release: Repository: 1.2 line
Operating System: GNU/Linux
_______________________________________________________
Details:
I've run into a problem when running multiple iterations of the oblate
scheme. Granted, my RNA system is the exact oposite of oblate, but I don't
know if that has anything to do with it. I set up a script to run relax for
15 iterations and this is what happens (suppressing all but error messages):
**The first ImportError is a good indication of what iteration is being run.
ImportError: relaxation curve fitting is unavailible, try compiling the C
modules.
ImportError: relaxation curve fitting is unavailible, try compiling the C
modules.
ImportError: relaxation curve fitting is unavailible, try compiling the C
modules.
Traceback (most recent call last):
File "relax", line 458, in ?
Relax()
File "relax", line 170, in __init__
self.interpreter.run()
File "/local/home/viochem/relax_1.2.7/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 "/local/home/viochem/relax_1.2.7/prompt/interpreter.py", line 388, in
run_script
console.interact(intro, local, script_file, quit)
File "/local/home/viochem/relax_1.2.7/prompt/interpreter.py", line 340, in
interact_script
execfile(script_file, local)
File "full_analysis-oblate.py", line 427, in ?
Main()
File "full_analysis-oblate.py", line 223, in __init__
self.multi_model()
File "full_analysis-oblate.py", line 419, in multi_model
minimise('newton', run=name)
File "/local/home/viochem/relax_1.2.7/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 "/local/home/viochem/relax_1.2.7/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 "/local/home/viochem/relax_1.2.7/specific_fns/model_free.py", line
2367, 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 "/local/home/viochem/relax_1.2.7/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 "/local/home/viochem/relax_1.2.7/minimise/method_of_multipliers.py",
line 143, in method_of_multipliers
results = min.minimise()
File "/local/home/viochem/relax_1.2.7/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 "/local/home/viochem/relax_1.2.7/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 "/local/home/viochem/relax_1.2.7/minimise/newton.py", line 45, in
newton
results = min.minimise()
File "/local/home/viochem/relax_1.2.7/minimise/base_classes.py", line 234,
in minimise
self.new_param_func()
File "/local/home/viochem/relax_1.2.7/minimise/newton.py", line 167, in
new_param_func
self.line_search()
File "/local/home/viochem/relax_1.2.7/minimise/base_classes.py", line 343,
in backline
self.alpha, fc = backtrack(self.func, self.args, self.xk, self.fk,
self.dfk, self.pk, a_init=self.a0)
TypeError: unpack non-sequence
ImportError: relaxation curve fitting is unavailible, try compiling the C
modules.
RelaxError: The file 'oblate/round_2/opt/results' does not exist.
ImportError: relaxation curve fitting is unavailible, try compiling the C
modules.
RelaxError: The file 'oblate/round_2/opt/results' does not exist.
ImportError: relaxation curve fitting is unavailible, try compiling the C
modules.
RelaxError: The file 'oblate/round_2/opt/results' does not exist.
ImportError: relaxation curve fitting is unavailible, try compiling the C
modules.
RelaxError: The file 'oblate/round_2/opt/results' does not exist.
ImportError: relaxation curve fitting is unavailible, try compiling the C
modules.
RelaxError: The file 'oblate/round_2/opt/results' does not exist.
ImportError: relaxation curve fitting is unavailible, try compiling the C
modules.
RelaxError: The file 'oblate/round_2/opt/results' does not exist.
ImportError: relaxation curve fitting is unavailible, try compiling the C
modules.
RelaxError: The file 'oblate/round_2/opt/results' does not exist.
ImportError: relaxation curve fitting is unavailible, try compiling the C
modules.
RelaxError: The file 'oblate/round_2/opt/results' does not exist.
ImportError: relaxation curve fitting is unavailible, try compiling the C
modules.
RelaxError: The file 'oblate/round_2/opt/results' does not exist.
ImportError: relaxation curve fitting is unavailible, try compiling the C
modules.
RelaxError: The file 'oblate/round_2/opt/results' does not exist.
ImportError: relaxation curve fitting is unavailible, try compiling the C
modules.
RelaxError: The file 'oblate/round_2/opt/results' does not exist.
ImportError: relaxation curve fitting is unavailible, try compiling the C
modules.
RelaxError: The file 'oblate/round_2/opt/results' does not exist.
***************
As can be seen, it runs the init and the first round, but upon reading the
failing the second round all other rounds fail. It would appear it's reading
something in wrong from the first round output. Am I wrong?
Please let me know if any input info would be helpful.
Alex Hansen
_______________________________________________________
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<http://gna.org/bugs/?7296>
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[bug #7296] Potential full analysis read problem