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

[Mona M.O. Elfadil]

Dear Changru,
Since there are other programs included such as Yambo
which are not compatible with the recent version of Q.E. , this version is
used 

-- 
Your sincerely,
Mona Elfadil
SudREN -
Network Engineer
www.suin.edu.sd
+249911319113


> 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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>>
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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
> ---
> 
>
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