URL:
<http://gna.org/bugs/?18019>
Summary: Gridsearch appears not to be working when
upper/lower bounds are set
Project: relax
Submitted by: None
Submitted on: Mon 11 Apr 2011 11:42:49 AM UTC
Category: relax's source code
Severity: 3 - Normal
Priority: 5 - Normal
Status: None
Privacy: Private
Assigned to: None
Originator Name: Tiago Pais
Originator Email: tpais@xxxxxxxxxxx
Open/Closed: Open
Discussion Lock: Any
Release: 1.3.8
Operating System: GNU/Linux
_______________________________________________________
Details:
My system is Ubuntu-9.04:
When I perform a gridsearch, exclusively for m5, with the lower and upper
bounds set to: lower=[0.111, 0, -0.0], upper=[0.111, 1.00, 200] I keep
seeing
the following message during the calculations:
"Min f: 3474.82
k: 3860 xk: [ 0.111, 0.066667, -0] fk: nan
Increment: array([ 5, 16, 16])
Params: array([ 0.111, 1. , Inf])
Min params: array([ 0.111 , 0.06666667, -0. ])
f: nan
Min f: 3474.82
k: 3861 xk: [ 0.111, 0.066667, -0] fk: nan
Increment: array([ 6, 16, 16])
Params: array([ 0.111, 1. , Inf])
Min params: array([ 0.111 , 0.06666667, -0. ])
f: nan
"
And at the end the tauS is zero for all spins and the S2s is always close to
1.
Attached follows the script that I am using and a truncated sample of my
data
set (I hope it is not too truncated!) as well as the results that I am
getting.
If you need more info let me know.
Thanks
Regards
Tiago P
_______________________________________________________
File Attachments:
-------------------------------------------------------
Date: Mon 11 Apr 2011 11:42:49 AM UTC Name: ErrorReportRelax.tar.gz Size:
8kB By: None
<http://gna.org/bugs/download.php?file_id=12833>
_______________________________________________________
Reply to this item at:
<http://gna.org/bugs/?18019>
_______________________________________________
Message sent via/by Gna!
http://gna.org/
_______________________________________________
relax (http://nmr-relax.com)
This is the relax-devel mailing list
relax-devel@xxxxxxx
To unsubscribe from this list, get a password
reminder, or change your subscription options,
visit the list information page at
https://mail.gna.org/listinfo/relax-devel