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<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>
<DIV> </DIV>
<DIV><FONT face=Arial size=2>Huiqun</FONT> </DIV>
<DIV> </DIV>
<BLOCKQUOTE
style="PADDING-RIGHT: 0px; PADDING-LEFT: 5px; MARGIN-LEFT: 5px; BORDER-LEFT: #000000 2px solid; MARGIN-RIGHT: 0px">
<DIV style="FONT: 10pt arial">----- Original Message ----- </DIV>
<DIV
style="BACKGROUND: #e4e4e4; FONT: 10pt arial; font-color: black"><B>From:</B>
<A title=babazade@gmail.com href="mailto:babazade@gmail.com">Amin
Babazadeh</A> </DIV>
<DIV style="FONT: 10pt arial"><B>To:</B> <A title=pw_forum@pwscf.org
href="mailto:pw_forum@pwscf.org">pw_forum@pwscf.org</A> </DIV>
<DIV style="FONT: 10pt arial"><B>Sent:</B> Thursday, November 30, 2006 3:17
PM</DIV>
<DIV style="FONT: 10pt arial"><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">hqzhou@nju.edu.cn</A>>
wrote:</SPAN>
<BLOCKQUOTE class=gmail_quote
style="PADDING-LEFT: 1ex; MARGIN: 0px 0px 0px 0.8ex; BORDER-LEFT: #ccc 1px solid">
<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 class=sg>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<DIV><FONT face=Arial size=2>Huiqun Zhou</FONT></DIV></SPAN>
<DIV><SPAN class=e id=q_10f28c5938997d80_2>
<DIV><FONT face=Arial size=2></FONT> </DIV>
<BLOCKQUOTE
style="PADDING-RIGHT: 0px; PADDING-LEFT: 5px; MARGIN-LEFT: 5px; BORDER-LEFT: #000000 2px solid; MARGIN-RIGHT: 0px">
<DIV style="FONT: 10pt arial">----- Original Message ----- </DIV>
<DIV style="BACKGROUND: #e4e4e4; FONT: 10pt arial"><B>From:</B> <A
title=babazade@gmail.com
onclick="return top.js.OpenExtLink(window,event,this)"
href="mailto:babazade@gmail.com" target=_blank>Amin Babazadeh</A> </DIV>
<DIV style="FONT: 10pt arial"><B>To:</B> <A title=pw_forum@pwscf.org
onclick="return top.js.OpenExtLink(window,event,this)"
href="mailto:pw_forum@pwscf.org" target=_blank>pw_forum@pwscf.org</A>
</DIV>
<DIV style="FONT: 10pt arial"><B>Sent:</B> Sunday, November 26, 2006 6:11
PM</DIV>
<DIV style="FONT: 10pt arial"><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
onclick="return top.js.OpenExtLink(window,event,this)"
href="mailto:akohlmey@cmm.chem.upenn.edu"
target=_blank>akohlmey@cmm.chem.upenn.edu </A>> wrote:</SPAN>
<BLOCKQUOTE class=gmail_quote
style="PADDING-LEFT: 1ex; MARGIN: 0px 0px 0px 0.8ex; BORDER-LEFT: #ccc 1px solid">On
11/22/06, Amin Babazadeh <<A
onclick="return top.js.OpenExtLink(window,event,this)"
href="mailto:babazade@gmail.com" target=_blank>
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
onclick="return top.js.OpenExtLink(window,event,this)"
href="mailto:akohlmey@cmm.chem.upenn.edu"
target=_blank>akohlmey@cmm.chem.upenn.edu</A> <A
onclick="return top.js.OpenExtLink(window,event,this)"
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>_______________________________________________<BR>Pw_forum
mailing list <BR><A
onclick="return top.js.OpenExtLink(window,event,this)"
href="mailto:Pw_forum@pwscf.org"
target=_blank>Pw_forum@pwscf.org</A><BR><A
onclick="return top.js.OpenExtLink(window,event,this)"
href="http://www.democritos.it/mailman/listinfo/pw_forum"
target=_blank>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 </BLOCKQUOTE></BODY></HTML>