<div dir="ltr">lotfan be hem email farsi bezanid va begid ta hala chekar kardin</div><div class="gmail_extra"><br><br><div class="gmail_quote">On Sun, Dec 1, 2013 at 2:52 PM, raha khalili <span dir="ltr"><<a href="mailto:khadije.khalili@gmail.com" target="_blank">khadije.khalili@gmail.com</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr"><div>Dear Giuseppe and Keshtkar<br></div>Thank you for your reply, I have installed espresso as you said but it doesn't work. I installed libraries espresso by yum. I don't know if I have to install them by openmpi too.<br>
<br></div><div class="gmail_extra"><div><div class="h5"><br><br><div class="gmail_quote">On Mon, Nov 25, 2013 at 6:43 PM, Giuseppe Mattioli <span dir="ltr"><<a href="mailto:giuseppe.mattioli@ism.cnr.it" target="_blank">giuseppe.mattioli@ism.cnr.it</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><br>
Dear Raha Khalili<br>
<br>
You ask explicitly the configure script for a parallel compilation<br>
<div><br>
> [khalili@localhost espresso-5.0.2]$ ./configure --enable-parallel<br>
> MPIF90=MPIF90 cc=mpicc F77=g77<br>
<br>
</div>But the configure script does not detect any parallel f90 compiler on your machine. However it tries to use anyway the MPIF90 (what is it?) variable<br>
you set.<br>
<div><br>
> configure: WARNING: MPIF90 not found: using MPIF90 anyway<br>
</div>...<br>
<div>> Parallel environment not detected \(is this a parallel machine?\).\<br>
<br>
</div>and therefore when you try to compile the code, the mpif90 compiler is not found.<br>
<div><br>
> make[1]: MPIF90: Command not found<br>
<br>
</div>If the openmpi compiler IS installed on your machine, then try to provide some meaningful path to the configure script, like, e.g. (this is MY<br>
mpif90...)<br>
<br>
MPIF90=/opt/mpich2-1.2.1p1.i11.1/bin/mpif90<br>
<br>
Otherwise, if you want to run a parallel version of QE you must install a parallel compiler. In ubuntu-like distros (ubuntu, mint, ...) you can<br>
download a perfectly working parallel mpif90 wrapper based on gfortran (mpich2, openmpi, ...), as well as the atlas and fftw3 libraries which allows<br>
for compiling a nice, almost "black box" parallel version of the QE codes. In fedora, I do not know.<br>
<br>
HTH<br>
<br>
Giuseppe<br>
<div><div><br>
On Monday 25 November 2013 15:36:56 raha khalili wrote:<br>
> Dear QE users<br>
> I want to install espresso-5.0.2 on fedora 18 with openmpi. But an error<br>
> happens:<br>
><br>
> [khalili@localhost espresso-5.0.2]$ ./configure --enable-parallel<br>
> MPIF90=MPIF90 cc=mpicc F77=g77<br>
> checking build system type... x86_64-unknown-linux-gnu<br>
> checking architecture... x86_64<br>
> checking for ifort... no<br>
> checking for pgf90... no<br>
> checking for pathf95... no<br>
> checking for sunf95... no<br>
> checking for openf95... no<br>
> checking for gfortran... gfortran<br>
> configure: WARNING: using cross tools not prefixed with host triplet<br>
> checking whether the Fortran compiler works... yes<br>
> checking for Fortran compiler default output file name... a.out<br>
> checking for suffix of executables...<br>
> checking whether we are cross compiling... yes<br>
> checking for suffix of object files... o<br>
> checking whether we are using the GNU Fortran compiler... yes<br>
> checking whether gfortran accepts -g... yes<br>
> checking for Fortran flag to compile .f90 files... none<br>
> checking for MPIF90... no<br>
> checking whether we are using the GNU Fortran compiler... no<br>
> checking whether accepts -g... no<br>
> configure: WARNING: MPIF90 not found: using MPIF90 anyway<br>
> checking version of MPIF90... unknown, assuming gfortran<br>
> setting F90... gfortran<br>
> setting MPIF90... MPIF90<br>
> checking for cc... cc<br>
> checking whether we are using the GNU C compiler... yes<br>
> checking whether cc accepts -g... yes<br>
> checking for cc option to accept ISO C89... none needed<br>
> setting CC... cc<br>
> checking how to run the C preprocessor... cc -E<br>
> checking for grep that handles long lines and -e... /usr/bin/grep<br>
> checking for egrep... /usr/bin/grep -E<br>
> checking for ANSI C header files... yes<br>
> checking for sys/types.h... yes<br>
> checking for sys/stat.h... yes<br>
> checking for stdlib.h... yes<br>
> checking for string.h... yes<br>
> checking for memory.h... yes<br>
> checking for strings.h... yes<br>
> checking for inttypes.h... yes<br>
> checking for stdint.h... yes<br>
> checking for unistd.h... yes<br>
> checking size of int *... 8<br>
> checking malloc.h usability... yes<br>
> checking malloc.h presence... yes<br>
> checking for malloc.h... yes<br>
> checking for struct mallinfo.arena... yes<br>
> checking whether we are using the GNU Fortran 77 compiler... yes<br>
> checking whether g77 accepts -g... yes<br>
> setting F77... g77<br>
> using F90... gfortran<br>
> setting FFLAGS... -O3 -g<br>
> setting F90FLAGS... $(FFLAGS) -x f95-cpp-input<br>
> setting FFLAGS_NOOPT... -O0 -g<br>
> setting CFLAGS... -O3<br>
> setting CPP... cpp<br>
> setting CPPFLAGS... -P -traditional<br>
> setting LD... MPIF90<br>
> setting LDFLAGS... -g<br>
> setting AR... ar<br>
> setting ARFLAGS... ruv<br>
> checking whether make sets $(MAKE)... yes<br>
> checking whether Fortran files must be preprocessed... no<br>
> checking how to get verbose linking output from g77... -v<br>
> checking for Fortran 77 libraries of g77...<br>
> -L/usr/lib/gcc/x86_64-redhat-linux/3.4.6<br>
> -L/usr/lib/gcc/x86_64-redhat-linux/3.4.6/../../../../lib64<br>
> -L/usr/lib/gcc/x86_64-redhat-linux/3.4.6/../../.. -L/lib/../lib64<br>
> -L/usr/lib/../lib64 -lfrtbegin -lg2c -lm<br>
> checking for dummy main to link with Fortran 77 libraries... none<br>
> checking for Fortran 77 name-mangling scheme... lower case, underscore,<br>
> extra underscore<br>
> checking for library containing dgemm... no<br>
> MKL not found<br>
> in /opt/intel/Compiler/*/*/mkl/lib/em64t: checking for library containing<br>
> dgemm... no<br>
> MKL not found<br>
> in /opt/intel/mkl/*/lib/em64t: checking for library containing dgemm... no<br>
> MKL not found<br>
> in /opt/intel/mkl*/lib/em64t: checking for library containing dgemm... no<br>
> MKL not found<br>
> checking for library containing dgemm... no<br>
> in /usr/local/lib: checking for library containing dgemm... no<br>
> checking for library containing dgemm... no<br>
> in /usr/local/lib: checking for library containing dgemm... no<br>
> checking for library containing dspev... no<br>
> in /usr/local/lib: checking for library containing dspev... no<br>
> setting BLAS_LIBS... /home/khalili/espresso-5.0.2/BLAS/blas.a<br>
> setting LAPACK_LIBS... /home/khalili/espresso-5.0.2/lapack-3.2/lapack.a<br>
> checking for library containing dfftw_execute_dft... -lfftw3<br>
> setting FFT_LIBS... -lfftw3<br>
> setting MASS_LIBS...<br>
> checking for library containing mpi_init... no<br>
> setting MPI_LIBS...<br>
> checking for library containing mpi_init... (cached) no<br>
> setting SCALAPACK_LIBS...<br>
> setting DFLAGS... -D__GFORTRAN -D__STD_F95 -D__FFTW3<br>
> setting IFLAGS... -I../include<br>
> setting FDFLAGS... $(DFLAGS)<br>
> checking for ranlib... ranlib<br>
> setting RANLIB... ranlib<br>
> checking for wget... wget -O<br>
> setting WGET... wget -O<br>
> configure: creating ./config.status<br>
> config.status: creating include/fft_defs.h<br>
> config.status: creating make.sys<br>
> config.status: creating configure.msg<br>
> config.status: creating install/make_wannier90.sys<br>
> config.status: creating install/make_blas.inc<br>
> config.status: creating install/make_lapack.inc<br>
> config.status: creating include/c_defs.h<br>
> config.status: include/c_defs.h is unchanged<br>
> --------------------------------------------------------------------<br>
> ESPRESSO can take advantage of several optimized numerical libraries<br>
> (essl, fftw, mkl...). This configure script attempts to find them,<br>
> but may fail if they have been installed in non-standard locations.<br>
> If a required library is not found, the local copy will be compiled.<br>
><br>
> The following libraries have been found:<br>
> BLAS_LIBS=/home/khalili/espresso-5.0.2/BLAS/blas.a<br>
> LAPACK_LIBS=/home/khalili/espresso-5.0.2/lapack-3.2/lapack.a<br>
> FFT_LIBS= -lfftw3<br>
> Please check if this is what you expect.<br>
><br>
> If any libraries are missing, you may specify a list of directories<br>
> to search and retry, as follows:<br>
> ./configure LIBDIRS="list of directories, separated by spaces"<br>
><br>
> Parallel environment not detected \(is this a parallel machine?\).\<br>
> Configured for compilation of serial executables.<br>
><br>
> For more info, read the ESPRESSO User's Guide (Doc/users-guide.tex).<br>
> --------------------------------------------------------------------<br>
> configure: success<br>
> [khalili@localhost espresso-5.0.2]$ make make all<br>
> make: *** No rule to make target `make'. Stop.<br>
> [khalili@localhost espresso-5.0.2]$ make all<br>
> test -d bin || mkdir bin<br>
> cd install ; make -f extlibs_makefile libiotk<br>
> make[1]: Entering directory `/home/khalili/espresso-5.0.2/install'<br>
> if test ! -d ../S3DE; then \<br>
> (gzip -dc ../archive/iotk-1.2.beta.tar.gz | (cd ../; tar -xvf -)) ; \<br>
> if test -e Makefile_iotk; then \<br>
> (cp Makefile_iotk ../S3DE/iotk/src/Makefile); fi; \<br>
> if test -e iotk_config.h; then \<br>
> (cp iotk_config.h ../S3DE/iotk/include/iotk_config.h); fi; fi<br>
> cd ../S3DE/iotk/src; make lib+util;<br>
> make[2]: Entering directory `/home/khalili/espresso-5.0.2/S3DE/iotk/src'<br>
> make[2]: Nothing to be done for `lib+util'.<br>
> make[2]: Leaving directory `/home/khalili/espresso-5.0.2/S3DE/iotk/src'<br>
> cd ../bin; ln -fs ../S3DE/iotk/tools/iotk .; \<br>
> ln -fs ../S3DE/iotk/src/iotk.x .; \<br>
> ln -fs ../S3DE/iotk/src/iotk_print_kinds.x .; \<br>
> cd ../; ln -fs S3DE/iotk iotk<br>
> make[1]: Leaving directory `/home/khalili/espresso-5.0.2/install'<br>
> cd install ; make -f extlibs_makefile libelpa<br>
> make[1]: Entering directory `/home/khalili/espresso-5.0.2/install'<br>
> touch fake_libelpa.a<br>
> rm fake_libelpa.a<br>
> make[1]: Leaving directory `/home/khalili/espresso-5.0.2/install'<br>
> ( cd Modules ; if test "make" = "" ; then make TLDEPS= all ; \<br>
> else make TLDEPS= all ; fi )<br>
> make[1]: Entering directory `/home/khalili/espresso-5.0.2/Modules'<br>
> MPIF90 -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW3<br>
> -I../include -I../iotk/src -I../ELPA/src -I. -c fft_scalar.f90<br>
> make[1]: MPIF90: Command not found<br>
> make[1]: *** [fft_scalar.o] Error 127<br>
> make[1]: Leaving directory `/home/khalili/espresso-5.0.2/Modules'<br>
> make: *** [mods] Error 2<br>
><br>
> Could anyone help me please?<br>
<br>
<br>
</div></div>********************************************************<br>
- Article premier - Les hommes naissent et demeurent<br>
libres et ègaux en droits. Les distinctions sociales<br>
ne peuvent être fondèes que sur l'utilitè commune<br>
- Article 2 - Le but de toute association politique<br>
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imprescriptibles de l'homme. Ces droits sont la libertè,<br>
la propriètè, la sùretè et la rèsistance à l'oppression.<br>
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Giuseppe Mattioli<br>
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</blockquote></div><br><br clear="all"><br></div></div>-- <br><div dir="ltr"><div class="im"><div>Khadije Khalili</div><div>Ph.D Student of Solid-State Physics</div></div><div class="im"><div>Department of Physics</div><div>
University of Mazandaran</div><div>Babolsar, Iran</div>
<div><a href="mailto:kh.khalili@stu.umz.ac.ir" target="_blank">kh.khalili@stu.umz.ac.ir</a></div><div> </div></div></div>
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