<div>Dear friends</div>
<div>I am so sorry for this but i couldn't solve my problem.</div>
<div>i installed lam 7.1.2 in my computer and i didn't change the installation PATH.</div>
<div>after that i configure the espresso.this file has been made.</div>
<p># make.sys. Generated from <a href="http://make.sys.in">make.sys.in</a> by configure.</p>
<p># compilation rules</p>
<p>.SUFFIXES :<br>.SUFFIXES : .o .c .f .f90</p>
<p># most fortran compilers can directly preprocess c-like directives: use<br># $(MPIF90) $(F90FLAGS) -c $<<br># if explicit preprocessing by the C preprocessor is needed, use:<br># $(CPP) $(CPPFLAGS) $< -o $*.F90
<br># $(MPIF90) $(F90FLAGS) -c $*.F90 -o $*.o<br># remember the tabulator in the first column !!!</p>
<p>.f90.o:<br> $(MPIF90) $(F90FLAGS) -c $<</p>
<p># .f.o and .c.o: do not modify</p>
<p>.f.o:<br> $(F77) $(FFLAGS) -c $<</p>
<p>.c.o:<br> $(CC) $(CFLAGS) -c $<</p>
<p><br># DFLAGS = precompilation options (possible arguments to -D and -U)<br># used by the C compiler and preprocessor<br># FDFLAGS = as DFLAGS, for the f90 compiler<br># See include/defs.h.README for a list of options and their meaning
<br># With the exception of IBM xlf, FDFLAGS = $(DFLAGS)<br># For IBM xlf, FDFLAGS is the same as DFLAGS with separating commas </p>
<p>DFLAGS = -D__INTEL -D__FFTW -D__USE_INTERNAL_FFTW<br>FDFLAGS = $(DFLAGS)</p>
<p># IFLAGS = how to locate directories where files to be included are<br># In most cases, IFLAGS = -I../include<br># If loading an external FFTW library, add the location of FFTW include files</p>
<p>IFLAGS = -I../include </p>
<p># MODFLAGS = flag used by f90 compiler to locate modules<br># You need to search for modules in ./, in ../iotk/src, in ../Modules<br># Some applications also neeed modules in ../PW, ../PH, ../CPV</p>
<p>MODFLAGS = -I./ -I../Modules -I../iotk/src \<br> -I../PW -I../PH -I../CPV</p>
<p># Compilers: fortran-90, fortran-77, C<br># If a parallel compilation is desired, MPIF90 should be a fortran-90 <br># compiler that produces executables for parallel execution using MPI<br># (such as for instance mpif90, mpf90, mpxlf90,...);
<br># otherwise, an ordinary fortran-90 compiler (f90, g95, xlf90, ifort,...)<br># If you have a parallel machine but no suitable candidate for MPIF90,<br># try to specify the directory containing "mpif.h" in IFLAGS
<br># and to specify the location of MPI libraries in MPI_LIBS</p>
<p>MPIF90 = ifort<br>#F90 = ifort<br>CC = cc<br>F77 = ifort</p>
<p># C preprocessor and preprocessing flags - for explicit preprocessing, <br># if needed (see the compilation rules above)<br># preprocessing flags must include DFLAGS and IFLAGS</p>
<p>CPP = cpp<br>CPPFLAGS = -P -traditional $(DFLAGS) $(IFLAGS)</p>
<p># compiler flags: C, F90, F77<br># C flags must include DFLAGS and IFLAGS<br># F90 flags must include MODFLAGS, IFLAGS, and FDFLAGS with appropriate syntax</p>
<p>CFLAGS = -O3 $(DFLAGS) $(IFLAGS)<br>F90FLAGS = $(FFLAGS) -nomodule -fpp $(FDFLAGS) $(IFLAGS) $(MODFLAGS)<br>FFLAGS = -O2 -tpp6 -assume byterecl</p>
<p># compiler flags without optimization for fortran-77<br># the latter is NEEDED to properly compile dlamch.f, used by lapack</p>
<p>FFLAGS_NOOPT = -O0 -assume byterecl</p>
<p># Linker and linker-specific flags (if any)<br># Typically LD coincides with F90 or MPIF90 - not actually used</p>
<p># LD = ifort<br>LDFLAGS = </p>
<p># External Libraries (if any) : blas, lapack, fft, MPI</p>
<p># If you have nothing better, use the local copy : ../flib/blas.a</p>
<p>BLAS_LIBS = ../flib/blas.a</p>
<p># The following lapack libraries will be available in flib/ :<br># ../flib/lapack.a : contains all needed routines<br># ../flib/lapack_atlas.a: only routines not present in the Atlas library<br># For IBM machines with essl: load essl BEFORE lapack !
<br># remember that LAPACK_LIBS precedes BLAS_LIBS in loading order</p>
<p>LAPACK_LIBS = ../flib/lapack.a</p>
<p># nothing needed here if the the internal copy of FFTW is compiled<br># (needs -D__FFTW -D__USE_INTERNAL_FFTW in DFLAGS)</p>
<p>FFT_LIBS = </p>
<p># For parallel execution, the correct path to MPI libraries must<br># be specified in MPI_LIBS (except for IBM if you use mpxlf)</p>
<p>MPI_LIBS = </p>
<p># IBM-specific: MASS libraries, if available and if -D__MASS is defined in FDFLAGS</p>
<p>MASS_LIBS = </p>
<p># pgplot libraries (used by some post-processing tools)</p>
<p>PGPLOT_LIBS = </p>
<p># ar command and flags - for most architectures: AR = ar, ARFLAGS = ruv<br># ARFLAGS_DYNAMICS is used in iotk to produce a dynamical library,<br># for Mac OS-X with PowerPC and xlf compiler. In all other cases<br># ARFLAGS_DYNAMICS = $(ARFLAGS)
</p>
<p>AR = ar<br>ARFLAGS = ruv<br>ARFLAGS_DYNAMIC= ruv</p>
<p># ranlib command. If ranlib is not needed (it isn't in most cases) use<br># RANLIB = echo</p>
<p>RANLIB = ranlib</p>
<p># all internal and external libraries - do not modify</p>
<p>LIBOBJS = ../flib/ptools.a ../flib/flib.a ../clib/clib.a ../iotk/src/libiotk.a<br>LIBS = $(LAPACK_LIBS) $(BLAS_LIBS) $(FFT_LIBS) $(MPI_LIBS) $(MASS_LIBS) $(PGPLOT_LIBS)</p>
<p>i saw that for mpif90 and F77, ifort compiler want to use so i change all of them to mpif77. and i compiled <a href="http://it.by">it.by</a> doing that i could use both of my computer's cpu but this error was hapen at the end of my runs.
</p>
<p>It seems that [at least] one of the processes that was started with<br>mpirun did not invoke MPI_INIT before quitting (it is possible that<br>more than one process did not invoke MPI_INIT -- mpirun was only<br>notified of the first one, which was on node n0).
</p>
<p>mpirun can *only* be used with MPI programs (i.e., programs that<br>invoke MPI_INIT and MPI_FINALIZE). You can use the "lamexec" program<br>to run non-MPI programs over the lambooted nodes.<br>-----------------------------------------------------------------------------
<br>forrtl: error (78): process killed (SIGTERM)<br>mpirun failed with exit status 252<br></p>
<div> </div>
<div>my computer run both of cpus but he didn't share kpoint he only do the same job with both cpus.</div>
<div>please help me i really confused why it happended.</div>
<div>sincerely yours</div>
<div><br><br> </div>
<div><span class="gmail_quote">On 12/2/06, <b class="gmail_sendername">Amin Babazadeh</b> <<a href="mailto:babazade@gmail.com">babazade@gmail.com</a>> wrote:</span>
<blockquote class="gmail_quote" style="PADDING-LEFT: 1ex; MARGIN: 0px 0px 0px 0.8ex; BORDER-LEFT: #ccc 1px solid">Dear Dr.Zhou and kohlmeyer <br>Thanks a lot for your helps. i will try to do your recommendation.<br>Sincerely yours
<br>amin
<div><span class="e" id="q_10f4351f4ecd8c2f_1"><br><br>
<div><span class="gmail_quote">On 12/2/06, <b class="gmail_sendername">Huiqun Zhou</b> < <a onclick="return top.js.OpenExtLink(window,event,this)" href="mailto:hqzhou@nju.edu.cn" target="_blank">hqzhou@nju.edu.cn</a>> wrote:
</span>
<blockquote class="gmail_quote" style="PADDING-LEFT: 1ex; MARGIN: 0pt 0pt 0pt 0.8ex; BORDER-LEFT: rgb(204,204,204) 1px solid">
<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>
<div> </div>
<div><font face="Arial" size="2">Huiqun</font> </div>
<div> </div></span>
<blockquote style="PADDING-RIGHT: 0px; PADDING-LEFT: 5px; MARGIN-LEFT: 5px; BORDER-LEFT: rgb(0,0,0) 2px solid; MARGIN-RIGHT: 0px"><span>
<div style="FONT: 10pt arial; font-size-adjust: none; font-stretch: normal">----- Original Message ----- </div>
<div style="BACKGROUND: rgb(228,228,228) 0% 50%; FONT: 10pt arial; font-size-adjust: none; font-stretch: normal"><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; font-size-adjust: none; font-stretch: normal"><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></span>
<div><span>
<div style="FONT: 10pt arial; font-size-adjust: none; font-stretch: normal"><b>Sent:</b> Thursday, November 30, 2006 3:17 PM</div>
<div style="FONT: 10pt arial; 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 onclick="return top.js.OpenExtLink(window,event,this)" href="mailto:hqzhou@nju.edu.cn" target="_blank">hqzhou@nju.edu.cn</a>> wrote:
</span>
<blockquote class="gmail_quote" style="PADDING-LEFT: 1ex; MARGIN: 0px 0px 0px 0.8ex; BORDER-LEFT: rgb(204,204,204) 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>
<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="PADDING-RIGHT: 0px; PADDING-LEFT: 5px; MARGIN-LEFT: 5px; BORDER-LEFT: rgb(0,0,0) 2px solid; MARGIN-RIGHT: 0px">
<div style="FONT: 10pt arial; font-size-adjust: none; font-stretch: normal">----- Original Message ----- </div>
<div style="BACKGROUND: rgb(228,228,228) 0% 50%; FONT: 10pt arial; font-size-adjust: none; font-stretch: normal"><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; font-size-adjust: none; font-stretch: normal"><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; font-size-adjust: none; font-stretch: normal"><b>Sent:</b> Sunday, November 26, 2006 6:11 PM</div>
<div style="FONT: 10pt arial; 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 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: rgb(204,204,204) 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 </span></div></blockquote></div></blockquote></div><br><br clear="all"><br></span></div>-- <br>
<span class="sg">AMIN </span></blockquote></div><br><br clear="all"><br>-- <br>AMIN