[Pw_forum] cluster timing & delay -v.lousy way-

[Changru Ma]

Dear Mona Elfadil,

Q.E.3.0 was released on 2005. I would suggest you to try the newest version 4.3.2 first. You can find it here:

http://www.quantum-espresso.org/download.php

HTH,
Changru

On 21 Sep, 2011, at 17:19, Mona M.O. Elfadil wrote:

> Dear all,
>        We had run an example -Q.E.3.0.1- from your package few days ago
> on a linux cluster- CentOS 5-, and it worked although we had no
> BLAS, LAPACK nor an FFTW packages previously installed - not
> surprising,since you have said so in your user guide-.
> Then we had tried an experimental data. It took a single CPU 10 min to get
> the results. While, unfortunately, it took a 16 CPUs more than 40 min to
> process the same data.
> We had tried the following:
> - Referring to your user guide: It needs a detailed physics background
> which is unavailable at the moment.
> - Downloading these mathematical packages:
> FFTW 3.1.2-3 & FFTW 2.1.5-2
> LAPACK 3_0-2
> BLAS 3_0-2
> (RPM versions)
> In the configuration phase of Q.E. it said that both LAPACK and FFTW are
> not found although BLASS was successfully configured.
> 
> We could not find FFTWND in our internet search(As a packet). But in your
> archive you have said it is not an error.
> 
> Assuming that all other factors are well, what could be the cause??
> 
> (P.S.: we are the system administrators)
> 
> -- 
> Your sincerely,
> Mona Elfadil
> SudREN - Network Engineer
> www.suin.edu.sd
> +249911319113
> 
> 
> 
> 
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---
Changru Ma
SISSA & Theory at Elettra group
email: crma at sissa.it
tel: +39 040 378 7870
http://www.sissa.it/~crma
---