<div dir="ltr"><div>Thank you Gavin it work <br></div>yes the problem is the NOCAL instead CAL<br><span id="gmail-result_box" class="gmail-short_text" tabindex="-1" lang="en"><span class="gmail-alt-edited">thank you very much again<br><br></span></span></div><div class="gmail_extra"><br><div class="gmail_quote">2017-07-21 3:49 GMT+02:00 Gavin Abo <span dir="ltr"><<a href="mailto:gsabo@crimson.ua.edu" target="_blank">gsabo@crimson.ua.edu</a>></span>:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
<div text="#000000" bgcolor="#FFFFFF">
<p><font face="Times New Roman">Sounds like that fixed the problem
for you [1]. If not, do you have NOCALC instead of CALC in </font><font face="Times New Roman">case.intrans [2,3]?</font></p>
<p><font face="Times New Roman">[1] gather_energy.patch:
<a class="m_3723592266142044663moz-txt-link-freetext" href="http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg13418.html" target="_blank">http://www.mail-archive.com/<wbr>wien@zeus.theochem.tuwien.ac.<wbr>at/msg13418.html</a><br>
</font></p>
<p><font face="Times New Roman">[2]
<a class="m_3723592266142044663moz-txt-link-freetext" href="http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg04755.html" target="_blank">http://www.mail-archive.com/<wbr>wien%40zeus.theochem.tuwien.<wbr>ac.at/msg04755.html</a><br>
</font></p>
<p><font face="Times New Roman">[3]
<a class="m_3723592266142044663moz-txt-link-freetext" href="http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg10740.html" target="_blank">http://www.mail-archive.com/<wbr>wien@zeus.theochem.tuwien.ac.<wbr>at/msg10740.html</a></font></p><div><div class="h5">
<div class="m_3723592266142044663moz-cite-prefix">On 7/20/2017 7:44 PM, Lagoun brahim
wrote:<br>
</div>
<blockquote type="cite">
<div dir="ltr">thank you Karima <br>
<br>
<span id="m_3723592266142044663gmail-result_box" class="m_3723592266142044663gmail-short_text" lang="en"><span class="m_3723592266142044663gmail-alt-edited">I
gathered the energy's files</span></span></div>
<div class="gmail_extra"><br>
<div class="gmail_quote">2017-07-21 3:41 GMT+02:00 karima
Physique <span dir="ltr"><<a href="mailto:physique.karima@gmail.com" target="_blank">physique.karima@gmail.com</a>></span>:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
<div dir="ltr">If you run a parallel calculation, you must
first lunch the command: <a href="http://gather_energy.pl" target="_blank">gather_energy.pl</a><br>
</div>
<div class="gmail_extra"><br>
<div class="gmail_quote">
<div>
<div class="m_3723592266142044663h5">2017-07-21 3:35 GMT+02:00 Lagoun
brahim <span dir="ltr"><<a href="mailto:b.lagoun@lagh-univ.dz" target="_blank">b.lagoun@lagh-univ.dz</a>></span>:<br>
</div>
</div>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
<div>
<div class="m_3723592266142044663h5">
<div dir="ltr">
<div>
<div>
<div>
<div>hallo every one<br>
<br>
</div>
i am doing a transport properties
calculation with (wien2k14.2+BoltzTraP
1.2.5) code but when i execute: x_trans
BoltzTrP with or without the flags: (-up
or -dn or -so) i have the following error
message:<br>
x_trans BoltzTraP<br>
================ BoltzTraP vs 1.2.5
=============<br>
LiFePO42 <wbr> <wbr>
<br>
XXXXXXXX<br>
forrtl: severe (24): end-of-file during
read, unit 48, file
/home/LiFePO42/LiFePO42.engre<br>
Image PC
Routine Line
Source <br>
BoltzTraP 000000000058BFBA
Unknown Unknown Unknown<br>
BoltzTraP 000000000058AB35
Unknown Unknown Unknown<br>
BoltzTraP 00000000004BAC26
Unknown Unknown Unknown<br>
BoltzTraP 00000000004776E6
Unknown Unknown Unknown<br>
BoltzTraP 0000000000476E59
Unknown Unknown Unknown<br>
BoltzTraP 0000000000497EA4
Unknown Unknown Unknown<br>
BoltzTraP 00000000004084C3
bandstructure_mp_ 133
m_bandstructure.F90<br>
BoltzTraP 00000000004126DA
MAIN__ 266
BoltzTraP.F90<br>
BoltzTraP 0000000000404A5C
Unknown Unknown Unknown<br>
libc.so.6 00002AC5C7439B05
Unknown Unknown Unknown<br>
BoltzTraP 0000000000404959
Unknown Unknown Unknown<br>
0.019u 0.006s 0:00.02 50.0% 0+0k 0+8io
0pf+0w<br>
<br>
<br>
</div>
i use ifort compiler + mkl libraries (the
same think when i compile the code with
gfortran compiler with blas and lapack)<br>
</div>
any suggestion <br>
</div>
<div>the tests work very well<br>
</div>
thank you in advance<br>
</div>
</div>
</div>
</blockquote>
</div>
</div>
</blockquote>
</div>
</div>
</blockquote>
</div></div></div>
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