thanks , Axel.<br>This scheme does work .<br>best<br><br><div class="gmail_quote">On Wed, Nov 26, 2008 at 4:29 PM, Axel Kohlmeyer <span dir="ltr"><<a href="mailto:akohlmey@cmm.chem.upenn.edu">akohlmey@cmm.chem.upenn.edu</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">this looks a lot like you are using two different versions<br>
of MKL for the two compiles and thus are another "victim"<br>
of the automatic threading of MKL v10. you should not<br>
have a process with >100% CPU with a regular compile.<br>
now if you have 8 cores and 8 MPI tasks and each of them<br>
threads across 8 cores, you have a) a severe overload of<br>
the scheduler and b) a big mess and all kinds of bad<br>
performance issues.<br>
<br>
try setting OMP_NUM_THREADS=1 and check if that<br>
changes the behavior.<br>
<br>
cheers,<br>
axel.<br>
<div><div></div><div class="Wj3C7c"><br>
<br>
<br>
On 11/25/08, lan haiping <<a href="mailto:lanhaiping@gmail.com">lanhaiping@gmail.com</a>> wrote:<br>
> Dear Paolo,<br>
> thanks for explaination.<br>
> But this behavior is really strange i have ever come to.<br>
> i have tried to rebuild the mpich and the QE, and nothing is<br>
> gained. Another strange problem is that the work i execute parallelly<br>
> with QE-v4 sometimes come to idle without execuation or output<br>
> information.<br>
><br>
> is there any other suggestion to figure what the problem with it ?<br>
><br>
> thanks<br>
><br>
> On Wed, Nov 26, 2008 at 1:55 AM, Paolo Giannozzi<br>
> <<a href="mailto:giannozz@democritos.it">giannozz@democritos.it</a>>wrote:<br>
><br>
>> lan haiping wrote:<br>
>><br>
>> > A strange behavior is found for QE v4 when i carry out parallel<br>
>> > executation [...] But this situation doesnot happen when i try<br>
>> > to run the same work with QE-v3.<br>
>><br>
>> it's hard to say anything meaningful based on the output of "top"<br>
>> and little more. There are several parallelization levles in QE,<br>
>> as explained here:<br>
>> <a href="http://www.quantum-espresso.org/wiki/index.php/Running_on_parallel_machines" target="_blank">http://www.quantum-espresso.org/wiki/index.php/Running_on_parallel_machines</a><br>
>> I don't remember what happened between v.3 and v.4, but whatever<br>
>> happened, it is unlikely to make parallelism less effective.<br>
>><br>
>> Paolo<br>
>> --<br>
>> Paolo Giannozzi, Democritos and University of Udine, Italy<br>
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>><br>
><br>
><br>
><br>
> --<br>
> Hai-Ping Lan<br>
> Department of Electronics ,<br>
> Peking University , Bejing, 100871<br>
> <a href="mailto:lanhaiping@gmail.com">lanhaiping@gmail.com</a>, <a href="mailto:hplan@pku.edu.cn">hplan@pku.edu.cn</a><br>
><br>
<br>
<br>
</div></div><font color="#888888">--<br>
=======================================================================<br>
Axel Kohlmeyer <a href="mailto:akohlmey@cmm.chem.upenn.edu">akohlmey@cmm.chem.upenn.edu</a> <a href="http://www.cmm.upenn.edu" target="_blank">http://www.cmm.upenn.edu</a><br>
Center for Molecular Modeling -- University of Pennsylvania<br>
Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323<br>
tel: 1-215-898-1582, fax: 1-215-573-6233, office-tel: 1-215-898-5425<br>
=======================================================================<br>
If you make something idiot-proof, the universe creates a better idiot.<br>
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</div></div></blockquote></div><br><br clear="all"><br>-- <br>Hai-Ping Lan <br>Department of Electronics ,<br>Peking University , Bejing, 100871<br><a href="mailto:lanhaiping@gmail.com">lanhaiping@gmail.com</a>, <a href="mailto:hplan@pku.edu.cn">hplan@pku.edu.cn</a><br>