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Dear Michael,<br>
<br>
Just one suggestion. Apple provides "broken" openmpi libs that can
interfere - because Xcode doesn't come with gfortran, Apple MPI doesn't
come with fortran support. So when I compile a new openmpi with a
foreign gfortran on OSX, I add
--with-wrapper-ldflags=-Wl,-search_paths_first to the configure options
in order to convince mpif90 to look first for the new openmpi libs
instead of the ones in the canonic paths. Did openmpi pass the tests
suite?<br>
<br>
Another way to check that everything is fine ...<br>
Check that PATH points to your mpif90, mpirun execs i.e. export
PATH=/usr/local/bin: ... same story for DYLD_LIBRARY_PATH i.e. export
DYLD_LIBRARY_PATH=/usr/local/lib:...<br>
Prepare the tiny mpi fortran test mpi_hello.f90:<br>
<br>
PROGRAM HelloWorld<br>
include 'mpif.h'<br>
<br>
call mpi_init(ierr)<br>
call mpi_comm_size(MPI_COMM_WORLD,npes, ierr)<br>
call mpi_comm_rank(MPI_COMM_WORLD,irank,ierr)<br>
<br>
print*,'Hello World! I am ',irank,' of ',npes<br>
<br>
call mpi_finalize(ierr)<br>
<br>
END PROGRAM<br>
<br>
compile with mpif90 mpi_hello.f90 -o mpi_hello<br>
and run with mpirun --mca btl sm,self -np 2 mpi_hello<br>
<br>
BTW MacResearch gfortran is an outdated alpha 4.4.0 version, probable
quite unstable - I suggest to compile the official gcc-4.3.3 (or
gcc-4.4.0 released since then) from gnu.gcc.org.<br>
<br>
Kind regards,<br>
<br>
Alain<br>
<br>
<br>
Michael Hayden wrote:
<blockquote cite="mid:9E929E0E-B449-4414-A1D9-834A1264FB30@umbc.edu"
type="cite">PWSCF users,
<div><br>
</div>
<div>I am trying to get Quantum Espresso going on my Mac. I am
completely new to this kind of thing, but think I have done everything
correctly yet the Espresso config process says, "Parallel environment
not detected (is this a parallel machine?)" every time I run it.</div>
<div><br>
</div>
<div>Here are my particulars:</div>
<div>1. MacPro with 2 x 3 GHz Quad-core Xeon-Intel processors,
running OS X (10.5.7)</div>
<div><br>
</div>
<div>2. I downloaded gfortran from MacResearch.org. It is installed
in /usr/local/bin.</div>
<div><br>
</div>
<div>3. I downloaded OpenMPI version 1.3.2, unpacked and installed
it with the following command in /usr/local,</div>
<div><br>
</div>
<div>sudo ./configure --with-mpi-f90-size=medium FC=gfortran
F77=gfortran FCFLAGS=-m64 FFLAGS=-m64 CXXFLAGS=-m64 CFLAGS=-m64</div>
<div><br>
</div>
<div>Everything seems to be fine, with the libraries in
/usr/local/lib and the binaries in /usr/local/bin.</div>
<div><br>
</div>
<div>4. I downloaded Quantum Espresso v4.0.5 and unpacked it in
/usr/local. I ran the config as follows:</div>
<div><br>
</div>
<div>sudo ./configure LD_LIBS=/usr/local/lib MPI_LIBS=/usr/local/lib
FFT_LIBS=/usr/local/lib MPIF77=mpif77 MPIF90=mpif90 ARCH=mac686
MPICC=mpic++</div>
<div><br>
</div>
<div>The output is here:</div>
<div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">checking build system
type... i686-apple-darwin9.7.0</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">checking
architecture... mac686</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">checking for ifort...
no</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">checking for g95... no</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">checking for
gfortran... gfortran</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">checking for Fortran
77 compiler default output file name... a.out</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">checking whether the
Fortran 77 compiler works... yes</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">checking whether we
are cross compiling... yes</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">checking for suffix
of executables... </span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">checking for suffix
of object files... o</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">checking whether we
are using the GNU Fortran 77 compiler... yes</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">checking whether
gfortran accepts -g... yes</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">checking for
mpif90... mpif90</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">checking whether we
are using the GNU Fortran 77 compiler... no</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">checking whether
mpif90 accepts -g... no</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">checking version of
mpif90... unknown, assuming gfortran</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">setting F90...
gfortran</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">setting MPIF90...
mpif90</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">checking for cc... cc</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">checking whether we
are using the GNU C compiler... yes</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">checking whether cc
accepts -g... yes</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">checking for cc
option to accept ANSI C... none needed</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">setting CC... cc</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">checking how to run
the C preprocessor... cc -E</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">checking for egrep...
grep -E</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">checking for ANSI C
header files... yes</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">checking for
sys/types.h... yes</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">checking for
sys/stat.h... yes</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">checking for
stdlib.h... yes</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">checking for
string.h... yes</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">checking for
memory.h... yes</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">checking for
strings.h... yes</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">checking for
inttypes.h... yes</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">checking for
stdint.h... yes</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">checking for
unistd.h... yes</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">checking for int *...
yes</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">checking size of int
*... 4</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">checking malloc.h
usability... no</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">checking malloc.h
presence... no</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">checking for
malloc.h... no</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">checking for
gfortran... gfortran</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">checking whether we
are using the GNU Fortran 77 compiler... yes</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">checking whether
gfortran accepts -g... yes</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">setting F77...
gfortran</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">using F90... gfortran</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">setting FFLAGS... -O3</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">setting F90FLAGS...
$(FFLAGS) -x f95-cpp-input</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">setting
FFLAGS_NOOPT... -O0</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">setting CFLAGS... -O3</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">setting CPP... cpp</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">setting CPPFLAGS...
-P -traditional</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">setting LD... mpif90</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">setting LDFLAGS...</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">setting AR... ar</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">setting ARFLAGS... ruv</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">setting
ARFLAGS_DYNAMIC...ruv</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">checking whether make
sets $(MAKE)... yes</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">checking whether
Fortran files must be preprocessed... no</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">checking how to get
verbose linking output from gfortran... -v</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">checking for Fortran
libraries of gfortran... -lcrt1.10.5.o
-L/usr/local/lib/gcc/i386-apple-darwin9.0.0/4.3.0
-L/usr/local/lib/gcc/i386-apple-darwin9.0.0/4.3.0/../../..
-lgfortranbegin -lgfortran -lgcc_s.10.5 -lSystem</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">checking for dummy
main to link with Fortran libraries... rm: conftest.dSYM: is a directory</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">none</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">checking for Fortran
name-mangling scheme... rm: conftest.dSYM: is a directory</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">lower case,
underscore, no extra underscore</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">checking for library
containing dgemm... none required</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">checking for library
containing zggev... -llapack</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">setting BLAS_LIBS...
-latlas</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">setting
LAPACK_LIBS... -llapack</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">setting FFT_LIBS...
/usr/local/lib</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">checking for library
containing fftwnd... no</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">setting MASS_LIBS...</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">setting MPI_LIBS...
/usr/local/lib</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">checking for library
containing mpi_init... no</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">setting DFLAGS...
-D__GFORTRAN -D__FFTW -D__USE_INTERNAL_FFTW</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">setting IFLAGS...
-I../include</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">setting FDFLAGS...
$(DFLAGS)</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">checking for
ranlib... ranlib</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">setting RANLIB...
ranlib</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">configure: creating
./config.status</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">config.status:
creating include/fft_defs.h</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">config.status:
creating make.sys</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">config.status:
creating configure.msg</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">config.status:
creating include/c_defs.h</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">config.status:
include/c_defs.h is unchanged</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">--------------------------------------------------------------------</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">ESPRESSO can take
advantage of several optimized numerical libraries</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">(essl, fftw, mkl...).
This configure script attempts to find them,</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">but may fail if they
have been installed in non-standard locations.</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">If a required library
is not found, the local copy will be compiled.</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;"><br>
</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">The following
libraries have been found:</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;"> BLAS_LIBS= -latlas</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;"> LAPACK_LIBS=
-llapack</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;"> FFT_LIBS=/usr/local/lib</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;"> MPI_LIBS=/usr/local/lib</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">Please check if this
is what you expect.</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;"><br>
</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">If any libraries are
missing, you may specify a list of directories</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">to search and retry,
as follows:</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;"> ./configure
LIBDIRS="list of directories, separated by spaces"</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;"><br>
</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;"><font
class="Apple-style-span" color="#ff1e00">Parallel environment not
detected (is this a parallel machine?).</font></span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">Configured for
compilation of serial executables.</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;"><br>
</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;">For more info, read
the ESPRESSO User's Guide (Doc/users-guide.tex).</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;"><br>
</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;"><br>
</span></font></div>
<div><font class="Apple-style-span" size="1"><span
class="Apple-style-span" style="font-size: 9px;"><br>
</span></font></div>
<div><br>
</div>
<div>My PATH is :
/usr/bin:/bin:/usr/sbin:/sbin:/usr/local/bin:/usr/local/lib:/usr/X11/bin</div>
<div><br>
</div>
<div>and I have set LD_LIBRARY_PATH and DYLD_LIBRARY_PATH to
/usr/local/lib in my startup shell script.</div>
<div><br>
</div>
<div>I have not "made" Espresso yet because of the "parallel
environment not detected" comment.</div>
<div><br>
</div>
<div>Does anyone see the mistake I am making?</div>
<div><br>
</div>
<div>I'd really appreciate any guidance whatsoever.</div>
<div><br>
</div>
<div>Michael</div>
<div><br>
</div>
<div><br>
</div>
<div><br>
</div>
<div><br>
</div>
</div>
<br>
<br>
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style="border-collapse: separate; color: rgb(0, 0, 0); font-family: Verdana; font-size: 12px; font-style: normal; font-variant: normal; font-weight: normal; letter-spacing: normal; line-height: normal; orphans: 2; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px;">
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<div>Michael Hayden</div>
<div>Professor and Chair</div>
<div>Department of Physics, UMBC</div>
<div>1000 Hilltop Circle</div>
<div>Baltimore, MD 21250</div>
<div>410-455-3199</div>
<div>410-455-1072 fax</div>
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<div>Research Lab</div>
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<div>Wiki page</div>
<div><a moz-do-not-send="true" href="http://thzpolymers.pbworks.com">http://thzpolymers.pbworks.com</a></div>
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<div>Materials and Devices for Information Technology Research</div>
<div><a moz-do-not-send="true" href="http://stc-mditr.org/">http://stc-mditr.org/</a></div>
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