Hi Edward,
Yes I am sorry about the private label. I set it initially to private
because I was going to include the structure of the protein attached, but
then I realized that I didn't need to send the whole thing. Eventually I
forgot to set the label back to public. So, yes, you can use the info as you
wish to try and solve the issue - including the test suite.
Hope to hear from you soon.
Cheers
TP
-----Original Message-----
From: Edward d'Auvergne [mailto:edward.dauvergne@xxxxxxxxx]
Sent: terça-feira, 12 de Abril de 2011 7:51
To: anonymous
Cc: Tiago Pais; relax-devel@xxxxxxx
Subject: Re: [bug #18019] Gridsearch appears not to be working when
upper/lower bounds are set
Hi,
Is there any reason this bug report has been made private? The data
is so truncated, there's nothing much anyone can do with it. The
privacy tag is usually reserved for security issues whereby it needs
to be kept private until a fix is found and released. Then the bug
can be made public. I'm looking into this now, but I'm not exactly
sure what is happening. Is it ok if I include this data, or part of
it, into the relax test suite? This will significantly help in the
debugging and will make sure this bug never returns!
Cheers,
Edward
On 11 April 2011 13:42, anonymous <NO-REPLY.INVALID-ADDRESS@xxxxxxx> wrote:
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>
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RE: [bug #18019] Gridsearch appears not to be working when upper/lower bounds are set