<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 />>>
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---<br />> Changru Ma<br />> SISSA & Theory@Elettra group<br
/>> email: crma@sissa.it<br />> tel: +39 040 378 7870<br />>
http://www.sissa.it/~crma<br />> ---<br />> <br />>
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