<html><head></head><body><div style="color:#000; background-color:#fff; font-family:times new roman, new york, times, serif;font-size:13px"><div id="yui_3_16_0_ym19_1_1504924766400_5417"><span>Dear Professor Gavin,</span></div><div id="yui_3_16_0_ym19_1_1504924766400_5417"><span><br></span></div><div id="yui_3_16_0_ym19_1_1504924766400_5417"><span id="yui_3_16_0_ym19_1_1504924766400_5561">Thank you for your suggestion, but for my case I am working with wien2k14, also you said that I need to use wien2wannier, should I compiled and use it with BerryPi?</span></div><div id="yui_3_16_0_ym19_1_1504924766400_5417"><span><br></span></div><div id="yui_3_16_0_ym19_1_1504924766400_5417"><span>I appreciate for your answer.</span></div><div id="yui_3_16_0_ym19_1_1504924766400_5417"><span><br></span></div><div id="yui_3_16_0_ym19_1_1504924766400_5417"><span><br></span></div><div id="yui_3_16_0_ym19_1_1504924766400_5417"><span>Regards,</span></div><div id="yui_3_16_0_ym19_1_1504924766400_5417"><span><br></span></div><div id="yui_3_16_0_ym19_1_1504924766400_5417"><span>Halim</span></div> <div class="qtdSeparateBR"><br><br></div><div class="yahoo_quoted" style="display: block;"> <div style="font-family: times new roman, new york, times, serif; font-size: 13px;"> <div style="font-family: HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, sans-serif; font-size: 16px;"> <div dir="ltr"><font size="2" face="Arial"> Le Vendredi 8 septembre 2017 11h45, Gavin Abo <gsabo@crimson.ua.edu> a écrit :<br></font></div> <br><br> <div class="y_msg_container"><div id="yiv5780257137"><div>
<div><font face="Times New Roman">I cannot recall if </font><span id="yiv5780257137yui_3_16_0_ym19_1_1504837973374_6990">BerryPI works with
Python 2.6. You can try it, but maybe it doesn't work as
section "8.2 BerryPI (Modern theory of polarization)" in the
WIEN2k 17.1 usersguide on page 149 has:</span></div>
<div><span id="yiv5780257137yui_3_16_0_ym19_1_1504837973374_6990">"It consists of a
set of Python scripts (<b>requires</b> <b>Python 2.7</b> and
the NumPi library) and uses wien2wannier for the calculation of
overlap integrals."<br clear="none">
</span></div>
The current error, however, doesn't look like it is caused by <span id="yiv5780257137yui_3_16_0_ym19_1_1504837973374_6990">Python 2.6.<br clear="none">
<br clear="none">
In your config.py, there is:<br clear="none">
<br clear="none">
#fix for location of python file locations when executing from the
python commandline<br clear="none">
DEFAULT_BIN_PATH=/home/ha/SRC_BerryPI/BerryPI<br clear="none">
<br clear="none">
#Fix for python path to make sure it grabs the latest version<br clear="none">
DEFAULT_PYTHON_PATH=/usr/bin/python<br clear="none">
<br clear="none">
</span>As Oleg mentioned, the current error will most likely be
resolved if you edit it and add single quotes to those lines:<br clear="none">
<br clear="none">
<span id="yiv5780257137yui_3_16_0_ym19_1_1504837973374_6990">#fix for location of
python file locations when executing from the python commandline<br clear="none">
DEFAULT_BIN_PATH='/home/ha/SRC_BerryPI/BerryPI'<br clear="none">
<br clear="none">
#Fix for python path to make sure it grabs the latest version<br clear="none">
DEFAULT_PYTHON_PATH='/usr/bin/python'</span><br clear="none">
<br clear="none">
<div class="yiv5780257137yqt2230009339" id="yiv5780257137yqt74113"><div class="yiv5780257137moz-cite-prefix">On 9/7/2017 8:40 PM, halim said wrote:<br clear="none">
</div>
<blockquote type="cite">
<div style="color:#000;background-color:#fff;font-family:times new roman, new york, times, serif;font-size:13px;">
<div><span>Dear Prof Oleg,</span></div>
<div><span><br clear="none">
</span></div>
<div id="yiv5780257137yui_3_16_0_ym19_1_1504837973374_6989"><span><br clear="none">
</span></div>
<div id="yiv5780257137yui_3_16_0_ym19_1_1504837973374_6991"><span id="yiv5780257137yui_3_16_0_ym19_1_1504837973374_6990">Thank you for your
suggestion, I don't work on personal computer and Python2.6
version is installed.</span></div>
<div id="yiv5780257137yui_3_16_0_ym19_1_1504837973374_6991"><span>Is it ok?
please find config.py as attached file.</span></div>
<div id="yiv5780257137yui_3_16_0_ym19_1_1504837973374_6991"><span><br clear="none">
</span></div>
<div id="yiv5780257137yui_3_16_0_ym19_1_1504837973374_6991"><span>Your
suggestion is very much appreciated.</span></div>
<div id="yiv5780257137yui_3_16_0_ym19_1_1504837973374_6991"><span><br clear="none">
</span></div>
<div id="yiv5780257137yui_3_16_0_ym19_1_1504837973374_6991"><span>Looking
forward for your answer.</span></div>
<div id="yiv5780257137yui_3_16_0_ym19_1_1504837973374_6991"><span><br clear="none">
</span></div>
<div id="yiv5780257137yui_3_16_0_ym19_1_1504837973374_6991"><span>All my
best,</span></div>
<div id="yiv5780257137yui_3_16_0_ym19_1_1504837973374_6991"><span><br clear="none">
</span></div>
<div id="yiv5780257137yui_3_16_0_ym19_1_1504837973374_6991"><span>Halim </span></div>
<div class="yiv5780257137qtdSeparateBR"><br clear="none">
<br clear="none">
</div>
<div class="yiv5780257137yahoo_quoted" style="display:block;">
<div style="font-family:times new roman, new york, times, serif;font-size:13px;">
<div style="font-family:HelveticaNeue, Helvetica Neue, Helvetica, Arial, Lucida Grande, sans-serif;font-size:16px;">
<div dir="ltr"><font size="2" face="Arial"> Le Jeudi 7
septembre 2017 21h49, "Rubel, Oleg"
<a rel="nofollow" shape="rect" class="yiv5780257137moz-txt-link-rfc2396E" ymailto="mailto:rubelo@mcmaster.ca" target="_blank" href="mailto:rubelo@mcmaster.ca"><rubelo@mcmaster.ca></a> a écrit :<br clear="none">
</font></div>
<br clear="none">
<br clear="none">
<div class="yiv5780257137y_msg_container">
<div dir="ltr">Ok. Can you reply with config.py file
attached?<br clear="none">
<br clear="none">
I remember python being picky about single quote signs
for the text variable enclosures.<br clear="none">
<br clear="none">
...<br clear="none">
#fix for location of python file locations when
executing from the python commandline<br clear="none">
DEFAULT_BIN_PATH='/home/rubel/BerryPI'<br clear="none">
<br clear="none">
#Fix for python path to make sure it grabs the latest
version<br clear="none">
DEFAULT_PYTHON_PATH='/software/CentOS-6/tools/python-2.7.3/bin/python’<br clear="none">
…<br clear="none">
<br clear="none">
Also check<br clear="none">
[<a rel="nofollow" shape="rect" ymailto="mailto:rubel@lg-1r14-n04" target="_blank" href="mailto:rubel@lg-1r14-n04">rubel@lg-1r14-n04</a> GaN-W]$
which berrypi<br clear="none">
<br clear="none">
Here is what I have:<br clear="none">
alias
berrypi='/software/CentOS-6/tools/python-2.7.3/bin/python
/home/rubel/BerryPI/berrypi'<br clear="none">
/software/CentOS-6/tools/python-2.7.3/bin/python<br clear="none">
<br clear="none">
Thanks<br clear="none">
Oleg<br clear="none">
<br clear="none">
> On Sep 7, 2017, at 14:28, halim said <<a rel="nofollow" shape="rect" ymailto="mailto:halim_said04@yahoo.fr" target="_blank" href="mailto:halim_said04@yahoo.fr">halim_said04@yahoo.fr</a>>
wrote:<br clear="none">
> <br clear="none">
> Dear Prof Oleg,<br clear="none">
> <br clear="none">
> Thank you for your answer. I changed the path in
config.py and set it as in the mentioned folder, also
the folder home/ha/SRC_BerryPI/BerryPI<br clear="none">
> exists.<br clear="none">
> <br clear="none">
> The same error occurs after changing the path,
please what to do to solve the problem?<br clear="none">
> <br clear="none">
> I appreciate your help.<br clear="none">
> <br clear="none">
> Halim<br clear="none">
> <br clear="none">
> <br clear="none">
> Le Jeudi 7 septembre 2017 19h23, "Rubel, Oleg"
<<a rel="nofollow" shape="rect" ymailto="mailto:rubelo@mcmaster.ca" target="_blank" href="mailto:rubelo@mcmaster.ca">rubelo@mcmaster.ca</a>> a
écrit :<br clear="none">
> <br clear="none">
> <br clear="none">
> Please check that the folder
/home/ha/SRC_BerryPI/BerryPI<br clear="none">
> really exists. Your error message suggests that
it can be /home/ha/WIEN2k/SRC_BerryPI/BerryPI<br clear="none">
> In this case you should edit DEFAULT_BIN_PATH in
config.py<br clear="none">
> <br clear="none">
> I hope it will fix your problem<br clear="none">
> Oleg<br clear="none">
> <br clear="none">
> > On Sep 7, 2017, at 12:11, halim said <<a rel="nofollow" shape="rect" ymailto="mailto:halim_said04@yahoo.fr" target="_blank" href="mailto:halim_said04@yahoo.fr">halim_said04@yahoo.fr</a>>
wrote:<br clear="none">
> > <br clear="none">
> > Dear Wien2k users community,<br clear="none">
> > <br clear="none">
> > I am facing problem when running berrypi, i
followed the example of GaN, but i am getting this
error. How to solve it.<br clear="none">
> > <br clear="none">
> > gan> berrypi -k6:6:6<br clear="none">
> > Traceback (most recent call last):<br clear="none">
> > File
"/home/ha/WIEN2k/SRC_BerryPI/BerryPI/berrypi", line
25, in <module><br clear="none">
> > import submoduleProcess as b_PySubProcess<br clear="none">
> > File
"/home/ha/WIEN2k/SRC_BerryPI/BerryPI/submoduleProcess.py",
line 11, in <module><br clear="none">
> > from config import
BERRY_DEFAULT_CONSOLE_PREFIX as DEFAULT_PREFIX<br clear="none">
> > File
"/home/ha/WIEN2k/SRC_BerryPI/BerryPI/config.py", line
14<br clear="none">
> >
DEFAULT_BIN_PATH=/home/ha/SRC_BerryPI/BerryPI<br clear="none">
> > ^<br clear="none">
> > SyntaxError: invalid syntax<br clear="none">
> > <br clear="none">
> > <br clear="none">
> > <br clear="none">
> > I would be thankful for your suggestion and
answer to solve the problem.<br clear="none">
> > <br clear="none">
> > Looking forward your answer.<br clear="none">
> > <br clear="none">
> > Halim Said<br clear="none">
> <br clear="none">
> > <br clear="none">
> > <br clear="none">
> > <br clear="none">
> > <br clear="none">
> > <br clear="none">
> >
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