[Pw_forum] espresso+openmpi

[raha khalili]

Dear QE users
I want to install espresso-5.0.2 on fedora 18 with openmpi. But an error
happens:

[khalili at localhost espresso-5.0.2]$ ./configure --enable-parallel
MPIF90=MPIF90 cc=mpicc F77=g77
checking build system type... x86_64-unknown-linux-gnu
checking architecture... x86_64
checking for ifort... no
checking for pgf90... no
checking for pathf95... no
checking for sunf95... no
checking for openf95... no
checking for gfortran... gfortran
configure: WARNING: using cross tools not prefixed with host triplet
checking whether the Fortran compiler works... yes
checking for Fortran compiler default output file name... a.out
checking for suffix of executables...
checking whether we are cross compiling... yes
checking for suffix of object files... o
checking whether we are using the GNU Fortran compiler... yes
checking whether gfortran accepts -g... yes
checking for Fortran flag to compile .f90 files... none
checking for MPIF90... no
checking whether we are using the GNU Fortran compiler... no
checking whether  accepts -g... no
configure: WARNING: MPIF90 not found: using MPIF90 anyway
checking version of MPIF90... unknown, assuming gfortran
setting F90... gfortran
setting MPIF90... MPIF90
checking for cc... cc
checking whether we are using the GNU C compiler... yes
checking whether cc accepts -g... yes
checking for cc option to accept ISO C89... none needed
setting CC... cc
checking how to run the C preprocessor... cc -E
checking for grep that handles long lines and -e... /usr/bin/grep
checking for egrep... /usr/bin/grep -E
checking for ANSI C header files... yes
checking for sys/types.h... yes
checking for sys/stat.h... yes
checking for stdlib.h... yes
checking for string.h... yes
checking for memory.h... yes
checking for strings.h... yes
checking for inttypes.h... yes
checking for stdint.h... yes
checking for unistd.h... yes
checking size of int *... 8
checking malloc.h usability... yes
checking malloc.h presence... yes
checking for malloc.h... yes
checking for struct mallinfo.arena... yes
checking whether we are using the GNU Fortran 77 compiler... yes
checking whether g77 accepts -g... yes
setting F77... g77
using F90... gfortran
setting FFLAGS... -O3 -g
setting F90FLAGS... $(FFLAGS) -x f95-cpp-input
setting FFLAGS_NOOPT... -O0 -g
setting CFLAGS... -O3
setting CPP... cpp
setting CPPFLAGS... -P -traditional
setting LD... MPIF90
setting LDFLAGS... -g
setting AR... ar
setting ARFLAGS... ruv
checking whether make sets $(MAKE)... yes
checking whether Fortran files must be preprocessed... no
checking how to get verbose linking output from g77... -v
checking for Fortran 77 libraries of g77...
-L/usr/lib/gcc/x86_64-redhat-linux/3.4.6
-L/usr/lib/gcc/x86_64-redhat-linux/3.4.6/../../../../lib64
-L/usr/lib/gcc/x86_64-redhat-linux/3.4.6/../../.. -L/lib/../lib64
-L/usr/lib/../lib64 -lfrtbegin -lg2c -lm
checking for dummy main to link with Fortran 77 libraries... none
checking for Fortran 77 name-mangling scheme... lower case, underscore,
extra underscore
checking for library containing dgemm... no
MKL not found
in /opt/intel/Compiler/*/*/mkl/lib/em64t: checking for library containing
dgemm... no
MKL not found
in /opt/intel/mkl/*/lib/em64t: checking for library containing dgemm... no
MKL not found
in /opt/intel/mkl*/lib/em64t: checking for library containing dgemm... no
MKL not found
checking for library containing dgemm... no
in /usr/local/lib: checking for library containing dgemm... no
checking for library containing dgemm... no
in /usr/local/lib: checking for library containing dgemm... no
checking for library containing dspev... no
in /usr/local/lib: checking for library containing dspev... no
setting BLAS_LIBS... /home/khalili/espresso-5.0.2/BLAS/blas.a
setting LAPACK_LIBS... /home/khalili/espresso-5.0.2/lapack-3.2/lapack.a
checking for library containing dfftw_execute_dft... -lfftw3
setting FFT_LIBS... -lfftw3
setting MASS_LIBS...
checking for library containing mpi_init... no
setting MPI_LIBS...
checking for library containing mpi_init... (cached) no
setting SCALAPACK_LIBS...
setting DFLAGS... -D__GFORTRAN -D__STD_F95 -D__FFTW3
setting IFLAGS... -I../include
setting FDFLAGS... $(DFLAGS)
checking for ranlib... ranlib
setting RANLIB... ranlib
checking for wget... wget -O
setting WGET... wget -O
configure: creating ./config.status
config.status: creating include/fft_defs.h
config.status: creating make.sys
config.status: creating configure.msg
config.status: creating install/make_wannier90.sys
config.status: creating install/make_blas.inc
config.status: creating install/make_lapack.inc
config.status: creating include/c_defs.h
config.status: include/c_defs.h is unchanged
--------------------------------------------------------------------
ESPRESSO can take advantage of several optimized numerical libraries
(essl, fftw, mkl...).  This configure script attempts to find them,
but may fail if they have been installed in non-standard locations.
If a required library is not found, the local copy will be compiled.

The following libraries have been found:
  BLAS_LIBS=/home/khalili/espresso-5.0.2/BLAS/blas.a
  LAPACK_LIBS=/home/khalili/espresso-5.0.2/lapack-3.2/lapack.a
  FFT_LIBS= -lfftw3
Please check if this is what you expect.

If any libraries are missing, you may specify a list of directories
to search and retry, as follows:
  ./configure LIBDIRS="list of directories, separated by spaces"

Parallel environment not detected \(is this a parallel machine?\).\
Configured for compilation of serial executables.

For more info, read the ESPRESSO User's Guide (Doc/users-guide.tex).
--------------------------------------------------------------------
configure: success
[khalili at localhost espresso-5.0.2]$ make make all
make: *** No rule to make target `make'.  Stop.
[khalili at localhost espresso-5.0.2]$ make all
test -d bin || mkdir bin
cd install ; make  -f extlibs_makefile libiotk
make[1]: Entering directory `/home/khalili/espresso-5.0.2/install'
if test ! -d ../S3DE; then \
(gzip -dc ../archive/iotk-1.2.beta.tar.gz | (cd ../; tar -xvf -)) ; \
if test -e Makefile_iotk; then \
        (cp Makefile_iotk ../S3DE/iotk/src/Makefile); fi; \
if test -e iotk_config.h; then \
(cp iotk_config.h ../S3DE/iotk/include/iotk_config.h); fi; fi
cd ../S3DE/iotk/src; make lib+util;
make[2]: Entering directory `/home/khalili/espresso-5.0.2/S3DE/iotk/src'
make[2]: Nothing to be done for `lib+util'.
make[2]: Leaving directory `/home/khalili/espresso-5.0.2/S3DE/iotk/src'
cd ../bin; ln -fs ../S3DE/iotk/tools/iotk .; \
ln -fs ../S3DE/iotk/src/iotk.x .; \
ln -fs ../S3DE/iotk/src/iotk_print_kinds.x .; \
cd ../; ln -fs S3DE/iotk iotk
make[1]: Leaving directory `/home/khalili/espresso-5.0.2/install'
cd install ; make  -f extlibs_makefile libelpa
make[1]: Entering directory `/home/khalili/espresso-5.0.2/install'
touch fake_libelpa.a
rm fake_libelpa.a
make[1]: Leaving directory `/home/khalili/espresso-5.0.2/install'
( cd Modules ; if test "make" = "" ; then make  TLDEPS= all ; \
else make  TLDEPS= all ; fi )
make[1]: Entering directory `/home/khalili/espresso-5.0.2/Modules'
MPIF90 -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW3
-I../include -I../iotk/src -I../ELPA/src -I. -c fft_scalar.f90
make[1]: MPIF90: Command not found
make[1]: *** [fft_scalar.o] Error 127
make[1]: Leaving directory `/home/khalili/espresso-5.0.2/Modules'
make: *** [mods] Error 2

Could anyone help me please?

-- 
Khadije Khalili
Ph.D Student of Solid-State Physics
Nanotechnology Group
Department of Physics
University of Mazandaran
Babolsar, Iran
kh.khalili at stu.umz.ac.ir
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