Hi,<div> To set the no. of threads,</div><div><br></div><div>use </div><div><div>export OMP_NUM_THREADS=n</div><div>export MKL_NUM_THREADS=n</div><div>export I_MPI_PIN=disable</div><div><br></div></div><div><br></div><div>
where n is the no. of threads. </div><div><br></div><div>And run with</div><div><br></div><div>mpirun -np xx cp2k.psmp <a href="http://yy.in">yy.in</a> </div><div><br></div><div>where xx*n = no. of cores</div><div><br>
</div><div>Wishes,<br>Sandeep</div><div><br><br><div class="gmail_quote">On Thu, Oct 11, 2012 at 1:59 PM, Riping Wang <span dir="ltr"><<a href="mailto:wang.ri...@gmail.com" target="_blank">wang.ri...@gmail.com</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">Hi Dominik，<br><br><br>I installed with 'yum install cp2k*' on my Fedora system.<br>There are cp2k.sopt and cp2k.ssmp appearing, respectively for single and parallel. <br>
They works well, as I run test examples.<br>
<br>There is one small problem.<br>As I use intel mechine, It has 12 threads, but in fact only 6 core.<br>The cp2k.ssmp used up all the threads.<br>But this is slow, because to use 6 thread is the fast.<br>So my question is:<br>
How to set thread when install with yum?<br>Or is there any other way to set the thread to work?<br><br>Thank you very much.<span class="HOEnZb"><font color="#888888"><br><br>WANG Riping<br>2012.10.11</font></span><div class="HOEnZb">
<div class="h5"><br> <br><br><br><br><br><br><br><br><div class="gmail_quote">On 10 October 2012 18:20, Dominik 'Rathann' Mierzejewski <span dir="ltr"><<a href="mailto:rat...@gmail.com" target="_blank">rat...@gmail.com</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0pt 0pt 0pt 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">Hi Riping,<br>
<div><br>
On Wednesday, 26 September 2012 at 10:51, Riping Wang wrote:<br>
> Dear developers,<br>
><br>
> Compiler gfortran + mpich2 + scalapack is convenient to install in linux,<br>
> as just with "yum install".<br>
> But there is no such kind of selection in installation arch.<br>
> There is only two series selection for gfortran: sdbg and sopt at present.<br>
><br>
> Any one can give me hints?<br>
<br>
</div>Since you mentioned "yum install", I assume you're using Fedora, RedHat<br>
Enterprise Linux or one of its derivatives.<br>
<br>
Have you tried the cp2k package available in Fedora? It's also available<br>
for RHEL-compatibles from the EPEL repository.<br>
<br>
You can get the mpich2+scalapack build using<br>
<br>
yum install cp2k-mpich2<br>
<br>
Let me know how it works for you.<br>
<br>
Regards,<br>
Dominik<br>
<span><font color="#888888"><br>
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</div></div></blockquote></div><br><br clear="all"><br></div></div><div class="im HOEnZb">-- <br><div>******************************************************************************<br>WANG Riping<br>Ph.D student, </div>
<div>Institute for Study of the Earth's Interior,Okayama University,<br>827 Yamada, Misasa, Tottori-ken 682-0193, Japan<br>Tel: +81-858-43-3739(Office), +81-858-43-1215(Inst)</div>
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