<div style="line-height:1.7;color:#000000;font-size:14px;font-family:arial">Yambo can be easily compiled with QE-4.x in Debian-based system, but with a makefile problem in RedHat-based system (lack of seperator '\'). However, you can compile it seperately, i.e., download Yambo-code from <a href="http://www.yambo-code.org/" target="_blank">http://www.yambo-code.org/</a> and compile. <br>Actually, I reported this problem in Yambo's forum half year before~<br>http://www.yambo-code.org/forum/viewtopic.php?f=1&t=300<br><br><div>--<br>GAO Zhe<br>CMC Lab, MSE, SNU, Seoul, S.Korea<br>
</div><div id="divNeteaseMailCard"></div><br>At 2011-09-22 14:39:42,"Mona M.O. Elfadil" <mona@suin.edu.sd> wrote:<br> <blockquote id="isReplyContent" style="padding-left: 1ex; margin: 0px 0px 0px 0.8ex; border-left: 1px solid rgb(204, 204, 204);"><p>
Dear Changru,</p><p>Since there are other programs included such as Yambo
which are not compatible with the recent version of Q.E. , this version is
used </p><p><br>-- <br>Your sincerely,<br>Mona Elfadil<br>SudREN -
Network Engineer<br>www.suin.edu.sd<br>+249911319113<br><br><br>> Dear Mona Elfadil,<br>> <br>> Q.E.3.0 was released on
2005. I would suggest you to try the newest<br>> version 4.3.2 first.
You can find it here:<br>> <br>>
http://www.quantum-espresso.org/download.php<br>> <br>> HTH,<br>> Changru<br>> <br>> On 21 Sep, 2011, at 17:19, Mona M.O.
Elfadil wrote:<br>> <br>>> Dear all,<br>>> We
had run an example -Q.E.3.0.1- from your package few days ago<br>>> on a linux cluster- CentOS 5-, and it worked although we had
no<br>>> BLAS, LAPACK nor an FFTW packages previously installed -
not<br>>> surprising,since you have said so in your user
guide-.<br>>> Then we had tried an experimental data. It took a
single CPU 10 min to<br>>> get<br>>> the results. While,
unfortunately, it took a 16 CPUs more than 40 min to<br>>> process
the same data.<br>>> We had tried the following:<br>>> -
Referring to your user guide: It needs a detailed physics background<br>>> which is unavailable at the moment.<br>>> - Downloading
these mathematical packages:<br>>> FFTW 3.1.2-3 & FFTW
2.1.5-2<br>>> LAPACK 3_0-2<br>>> BLAS 3_0-2<br>>>
(RPM versions)<br>>> In the configuration phase of Q.E. it said
that both LAPACK and FFTW are<br>>> not found although BLASS was
successfully configured.<br>>><br>>> We could not find
FFTWND in our internet search(As a packet). But in<br>>> your<br>>> archive you have said it is not an error.<br>>><br>>> Assuming that all other factors are well, what could be the
cause??<br>>><br>>> (P.S.: we are the system
administrators)<br>>><br>>> --<br>>> Your
sincerely,<br>>> Mona Elfadil<br>>> SudREN - Network
Engineer<br>>> www.suin.edu.sd<br>>> +249911319113<br>>><br>>><br>>><br>>><br>>>
_______________________________________________<br>>> Pw_forum
mailing list<br>>> <a href="mailto:Pw_forum@pwscf.org">Pw_forum@pwscf.org</a><br>>>
http://www.democritos.it/mailman/listinfo/pw_forum<br>> <br>>
---<br>> Changru Ma<br>> SISSA & Theory@Elettra group<br>> email: <a href="mailto:crma@sissa.it">crma@sissa.it</a><br>> tel: +39 040 378 7870<br>>
http://www.sissa.it/~crma<br>> ---<br>> <br>>
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