<html><body style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; ">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><div apple-content-edited="true"> <span class="Apple-style-span" 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-align: auto; text-indent: 0px; text-transform: none; white-space: normal; widows: 2; word-spacing: 0px; -webkit-border-horizontal-spacing: 0px; -webkit-border-vertical-spacing: 0px; -webkit-text-decorations-in-effect: none; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0; "><div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><span class="Apple-style-span" 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; -webkit-border-horizontal-spacing: 0px; -webkit-border-vertical-spacing: 0px; -webkit-text-decorations-in-effect: none; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0px; "><div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><span class="Apple-style-span" 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; -webkit-border-horizontal-spacing: 0px; -webkit-border-vertical-spacing: 0px; -webkit-text-decorations-in-effect: none; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0px; "><div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><span class="Apple-style-span" 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; -webkit-border-horizontal-spacing: 0px; -webkit-border-vertical-spacing: 0px; -webkit-text-decorations-in-effect: none; -webkit-text-size-adjust: auto; -webkit-text-stroke-width: 0px; "><div style="word-wrap: break-word; -webkit-nbsp-mode: space; -webkit-line-break: after-white-space; "><div><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><div><br></div><div>Research Lab</div><div><a href="http://userpages.umbc.edu/~hayden/polymers.html">http://userpages.umbc.edu/~hayden/polymers.html</a></div><div><br></div><div><div>Wiki page</div><div><a href="http://thzpolymers.pbworks.com">http://thzpolymers.pbworks.com</a></div></div><div><br></div><div>Materials and Devices for Information Technology Research</div><div><a href="http://stc-mditr.org/">http://stc-mditr.org/</a></div><div><br></div></div><br></div></span><br class="Apple-interchange-newline"></div></span><br class="Apple-interchange-newline"></div></span><br class="Apple-interchange-newline"></div></span><br class="Apple-interchange-newline"> </div><br></body></html>