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/