Dear Dr.Zhou and kohlmeyer <br>Thanks a lot for your helps. i will try to do your recommendation.<br>Sincerely yours<br>amin <br><br><div><span class="gmail_quote">On 12/2/06, <b class="gmail_sendername">Huiqun Zhou</b> <
<a href="mailto:hqzhou@nju.edu.cn">hqzhou@nju.edu.cn</a>> wrote:</span><blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0pt 0pt 0pt 0.8ex; padding-left: 1ex;">
<div bgcolor="#ffffff">
<div><font face="Arial" size="2">Amin,</font></div>
<div><font face="Arial" size="2"></font> </div>
<div><font face="Arial" size="2">Sorry, I was out of the town and had no access to
my e-mail.</font></div>
<div><font face="Arial" size="2"></font> </div>
<div><font face="Arial" size="2">1. You can use anyone of MPI implemetations. But I
recommend Intel MPI-2 because it's an</font></div>
<div><font face="Arial" size="2"> installable binary, it saves you as a
beginner a lot of time. If you cannot</font><font face="Arial" size="2"> get a copy
of that, </font></div>
<div><font face="Arial" size="2"> use OpenMPI, a successor of
LAM/MPI.</font></div>
<div><font face="Arial" size="2">2. Basically, when you recompile MPI, you can add
--prefix=/your/favourite/place to configure</font></div>
<div><font face="Arial" size="2">3. You need C compiler to compile
MPI. You need </font><font face="Arial" size="2">gcc too. I compiled MPI
with icc + ifort.</font></div>
<div><font face="Arial" size="2"></font> </div>
<div><font face="Arial" size="2">Good luck!</font></div><span class="sg">
<div> </div>
<div><font face="Arial" size="2">Huiqun</font> </div>
<div> </div>
</span><blockquote style="border-left: 2px solid rgb(0, 0, 0); padding-right: 0px; padding-left: 5px; margin-left: 5px; margin-right: 0px;"><span class="q">
<div style="font-family: arial; font-style: normal; font-variant: normal; font-weight: normal; font-size: 10pt; line-height: normal; font-size-adjust: none; font-stretch: normal;">----- Original Message ----- </div>
<div style="background: rgb(228, 228, 228) none repeat scroll 0% 50%; -moz-background-clip: -moz-initial; -moz-background-origin: -moz-initial; -moz-background-inline-policy: -moz-initial; font-family: arial; font-style: normal; font-variant: normal; font-weight: normal; font-size: 10pt; line-height: normal; font-size-adjust: none; font-stretch: normal;">
<b>From:</b>
<a title="babazade@gmail.com" href="mailto:babazade@gmail.com" target="_blank" onclick="return top.js.OpenExtLink(window,event,this)">Amin
Babazadeh</a> </div>
<div style="font-family: arial; font-style: normal; font-variant: normal; font-weight: normal; font-size: 10pt; line-height: normal; font-size-adjust: none; font-stretch: normal;"><b>To:</b> <a title="pw_forum@pwscf.org" href="mailto:pw_forum@pwscf.org" target="_blank" onclick="return top.js.OpenExtLink(window,event,this)">
pw_forum@pwscf.org</a> </div></span><div><span class="e" id="q_10f425124f37e727_4">
<div style="font-family: arial; font-style: normal; font-variant: normal; font-weight: normal; font-size: 10pt; line-height: normal; font-size-adjust: none; font-stretch: normal;"><b>Sent:</b> Thursday, November 30, 2006 3:17
PM</div>
<div style="font-family: arial; font-style: normal; font-variant: normal; font-weight: normal; font-size: 10pt; line-height: normal; font-size-adjust: none; font-stretch: normal;"><b>Subject:</b> Re: [Pw_forum] use doual
core</div>
<div><br></div>
<div>Thanks a lot for your answers.but until yet i couldn't solve my problem.I
confused about mpi. there are three kind of mpi in the Internet
(lam/mpi,openmpi,mpich) i don't know which one of them i should install.</div>
<div>about making the environment i should say that i am beginner in using
Linux so i use the ./configure commend and i didn't change any path because i
don't know how i should do it.</div>
<div>i will appreciate if answer my question?</div>
<div>1-which mpi do i need for my job?</div>
<div>2-how could i change the path?</div>
<div>3-is ifort compiler enough for installing mpi package?<br>Thanks a
lot<br> </div>
<div><span class="gmail_quote">On 11/27/06, <b class="gmail_sendername">Huiqun
Zhou</b> <<a href="mailto:hqzhou@nju.edu.cn" target="_blank" onclick="return top.js.OpenExtLink(window,event,this)">hqzhou@nju.edu.cn</a>>
wrote:</span>
<blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0px 0px 0px 0.8ex; padding-left: 1ex;">
<div bgcolor="#ffffff">
<div><font face="Arial" size="2">Have you set up you environment for using one
the mpi libraries you installed in .bashrc?</font></div>
<div><font face="Arial" size="2">For example, for openmpi you need to set
following in your .bashrc if you are using bash</font></div>
<div><font face="Arial" size="2">as your shell:</font></div>
<div><font face="Arial" size="2">...</font></div>
<div><font face="Arial" size="2">export PATH=/opt/openmpi/bin:$PATH</font></div>
<div><font face="Arial" size="2">export
LD_LIBRARY_PATH=/opt/openmpi/lib:$LD_LIBRARY_PATH</font></div>
<div><font face="Arial" size="2">...</font></div>
<div><font face="Arial" size="2"></font> </div>
<div><font face="Arial" size="2">Note: you need to replace /opt/openmpi with the
path of your installation.</font></div><span>
<div><font face="Arial" size="2"></font> </div>
<div><font face="Arial" size="2">Huiqun Zhou</font></div></span>
<div><span>
<div><font face="Arial" size="2"></font> </div>
<blockquote style="border-left: 2px solid rgb(0, 0, 0); padding-right: 0px; padding-left: 5px; margin-left: 5px; margin-right: 0px;">
<div style="font-family: arial; font-style: normal; font-variant: normal; font-weight: normal; font-size: 10pt; line-height: normal; font-size-adjust: none; font-stretch: normal;">----- Original Message ----- </div>
<div style="background: rgb(228, 228, 228) none repeat scroll 0% 50%; -moz-background-clip: -moz-initial; -moz-background-origin: -moz-initial; -moz-background-inline-policy: -moz-initial; font-family: arial; font-style: normal; font-variant: normal; font-weight: normal; font-size: 10pt; line-height: normal; font-size-adjust: none; font-stretch: normal;">
<b>From:</b> <a title="babazade@gmail.com" href="mailto:babazade@gmail.com" target="_blank" onclick="return top.js.OpenExtLink(window,event,this)">Amin Babazadeh</a> </div>
<div style="font-family: arial; font-style: normal; font-variant: normal; font-weight: normal; font-size: 10pt; line-height: normal; font-size-adjust: none; font-stretch: normal;"><b>To:</b> <a title="pw_forum@pwscf.org" href="mailto:pw_forum@pwscf.org" target="_blank" onclick="return top.js.OpenExtLink(window,event,this)">
pw_forum@pwscf.org</a>
</div>
<div style="font-family: arial; font-style: normal; font-variant: normal; font-weight: normal; font-size: 10pt; line-height: normal; font-size-adjust: none; font-stretch: normal;"><b>Sent:</b> Sunday, November 26, 2006 6:11
PM</div>
<div style="font-family: arial; font-style: normal; font-variant: normal; font-weight: normal; font-size: 10pt; line-height: normal; font-size-adjust: none; font-stretch: normal;"><b>Subject:</b> Re: [Pw_forum] use doual
core</div>
<div><br> </div>
<div>Dear Dr.Kohlmeyer</div>
<div>Thanks a lot for your help.I did what you said.i installed </div>
<div>fftw-3.1.2.tar</div>
<div>lam-7.1.2.tar</div>
<div>mpich2-1.0.4p1.tar</div>
<div>openmpi-1.1.2.tar</div>
<div> on fedora core 5 and after that i configure the espresso but
this error was written</div>
<div> </div>
<div>WARNING: the following problems were detected:</div>
<p> unsupported C/Fortran compilers combination:<br> CC=mpicc,
F77=mpif77, F90=mpif90</p>
<div>you may not be able to compile this program.</div>
<div>i don't know what this problem means.would you please help me.</div>
<div>Thanks a lot</div>
<div><br><br> </div>
<div><span class="gmail_quote">On 11/22/06, <b class="gmail_sendername">Axel
Kohlmeyer</b> <<a href="mailto:akohlmey@cmm.chem.upenn.edu" target="_blank" onclick="return top.js.OpenExtLink(window,event,this)">akohlmey@cmm.chem.upenn.edu </a>> wrote:</span>
<blockquote class="gmail_quote" style="border-left: 1px solid rgb(204, 204, 204); margin: 0px 0px 0px 0.8ex; padding-left: 1ex;">On
11/22/06, Amin Babazadeh <<a href="mailto:babazade@gmail.com" target="_blank" onclick="return top.js.OpenExtLink(window,event,this)">
babazade@gmail.com</a>> wrote:<br>> dear users <br>> I use a
computer with a dual core CPU.but my problem is that when i run
a<br>> program only one of the CPU work but i like to share the work
(solving k<br>> points) between cpus. <br>> I think that i should
install the parallel pwscf but when i run the <br>> ./configure only
single pwscf installed.<br><br>you have to install an MPI package (e.g.
LAM/MPI, OpenMPI, MPICH) <br>first and then configure/compile quantum
espresso with parallel support <br>as explained in the provided
installation instructions. <br><br>please make sure that your MPI
package is compatible with or compiled<br>for the fortran compiler you
want to use to compiled quantum espresso with. <br>precompiled packages
may be compiled for a different compiler and thus <br>need special flags
or environment variables set to use the compiler of<br>your
choice.<br><br>axel.<br><br>> would you please tell me or give me a
document that solve my problem. <br>><br>><br>> --<br>> AMIN
<br><br><br>--<br>=======================================================================<br>Axel
Kohlmeyer <a href="mailto:akohlmey@cmm.chem.upenn.edu" target="_blank" onclick="return top.js.OpenExtLink(window,event,this)">akohlmey@cmm.chem.upenn.edu</a> <a href="http://www.cmm.upenn.edu/" target="_blank" onclick="return top.js.OpenExtLink(window,event,this)">
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>_______________________________________________<br>Pw_forum
mailing list <br><a href="mailto:Pw_forum@pwscf.org" target="_blank" onclick="return top.js.OpenExtLink(window,event,this)">Pw_forum@pwscf.org</a><br><a href="http://www.democritos.it/mailman/listinfo/pw_forum" target="_blank" onclick="return top.js.OpenExtLink(window,event,this)">
http://www.democritos.it/mailman/listinfo/pw_forum</a><br></blockquote></div><br><br clear="all"><br>-- <br>AMIN
</blockquote></span></div></div></blockquote></div><br><br clear="all"><br>--
<br>AMIN </span></div></blockquote></div>
</blockquote></div><br><br clear="all"><br>-- <br>AMIN