make abinit-6.10.1 fails

[majo]

Hello, I'm trying to compile abinit-6.10.1 in parallel with MPI and it gives me an error :

Code: Select all

 ==============================================================================
 === Overall startup                                                        ===
 ==============================================================================

checking build system type... x86_64-unknown-linux-gnu
checking host system type... x86_64-unknown-linux-gnu
checking target system type... x86_64-unknown-linux-gnu
checking for a BSD-compatible install... /usr/local/bin/install -c
checking whether build environment is sane... yes
checking for a thread-safe mkdir -p... /bin/mkdir -p
checking for gawk... gawk
checking whether make sets $(MAKE)... yes
checking whether make sets $(MAKE)... (cached) yes
checking whether ln -s works... yes
checking for a sed that does not truncate output... /bin/sed
checking for gawk... (cached) gawk
checking for grep that handles long lines and -e... /bin/grep
checking for egrep... /bin/grep -E
configure: not loading options (no config file available)

 ==============================================================================
 === Build-system information                                               ===
 ==============================================================================

configure: ABINIT version 6.10.1
configure: M4 010416 - Autoconf 026800 - Automake 011100 - Libtool 020204
configure: reporting user interface changes:
configure:  * new option --enable-gw-openmp is available

 ==============================================================================
 === Option consistency checking                                            ===
 ==============================================================================

configure: checking consistency of library-related options
configure:  |---> all OK
configure: 
configure: checking consistency of plug-in options
configure:  |---> all OK
configure: 
configure: checking consistency of experimental options
configure:  |---> all OK
configure: 
configure:  |---> all OK
configure: 
configure: parsing command-line options

 ==============================================================================
 === Connector startup                                                      ===
 ==============================================================================

configure: Initializing MPI support
checking for mpirun... mpirun
configure: compiler checks deferred
configure: GPU support disabled from command-line

 ==============================================================================
 === Utilities                                                              ===
 ==============================================================================

checking for sh... /bin/sh
checking for mv... /bin/mv
checking for perl... /usr/local/bin/perl
checking for rm... /bin/rm
checking for dvips... dvips
checking for dvipdf... dvipdf
checking for latex... latex
checking for markdown... no
checking for patch... patch
checking for ps2pdf... ps2pdf
checking for tar... tar
checking for wget... wget
checking for curl... curl
configure: using internal version of MarkDown

 ==============================================================================
 === C support                                                              ===
 ==============================================================================

checking for gcc... gcc
checking whether the C compiler works... yes
checking for C compiler default output file name... a.out
checking for suffix of executables... 
checking whether we are cross compiling... no
checking for suffix of object files... o
checking whether we are using the GNU C compiler... yes
checking whether gcc accepts -g... yes
checking for gcc option to accept ISO C89... none needed
checking for style of include used by make... GNU
checking dependency style of gcc... gcc3
checking how to run the C preprocessor... /usr/bin/cpp
checking which type of compiler we have... gnu 4.1
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 whether byte ordering is bigendian... no

 ==============================================================================
 === C++ support                                                            ===
 ==============================================================================

checking for g++... g++
checking whether we are using the GNU C++ compiler... yes
checking whether g++ accepts -g... yes
checking dependency style of g++... gcc3
checking which type of C++ compiler we have... gnu 4.1

 ==============================================================================
 === Fortran support                                                        ===
 ==============================================================================

checking whether we are using the GNU Fortran compiler... no
checking whether /opt/mpich/intel/bin/mpif90 accepts -g... yes
checking which type of Fortran compiler we have... intel 10.1
checking fortran 90 modules extension... mod
checking for Fortran flag to compile .F90 files... none
configure: determining Fortran module case
checking whether Fortran modules are upper-case... no
checking how to get verbose linking output from /opt/mpich/intel/bin/mpif90... -v
checking for Fortran libraries of /opt/mpich/intel/bin/mpif90...  -L/opt/mpich/intel/lib -L/opt/intel/mkl/10.0.3.020/lib/em64t -L/opt/intel/fce/10.1.018/lib -L/usr/lib/gcc/x86_64-redhat-linux/4.1.2/ -L/usr/lib/gcc/x86_64-redhat-linux/4.1.2/../../../../lib64 -lmpichf90 -lmpich -lpthread -lrt -lifport -lifcore -limf -lsvml -lm -lipgo -lirc -lirc_s -ldl
checking for dummy main to link with Fortran libraries... none
checking for Fortran name-mangling scheme... lower case, underscore, no extra underscore

 ==============================================================================
 === Python support                                                         ===
 ==============================================================================

checking for python... python
checking for Python CPPFLAGS... -I/usr/include/python2.4 -I/usr/lib64/python2.4/site-packages/numpy/core/include
checking for bzr... no
checking for Python NumPy headers... found

 ==============================================================================
 === Libraries and linking                                                  ===
 ==============================================================================

checking for ranlib... ranlib

 ==============================================================================
 === Hints                                                                  ===
 ==============================================================================

checking for cpp... cpp
checking for a true C preprocessor... cpp
checking which cpp hints to apply... default/default/default
checking which cc hints to apply... gnu/default/default
checking which xpp hints to apply... none/none/none
checking which cxx hints to apply... gnu/default/default
checking which fpp hints to apply... default/default/default
checking which fc hints to apply... intel/10.1/default
checking which ar hints to apply... none/none/none
checking which Fortran preprocessor to use... 
checking which Fortran preprocessor flags to apply... 
checking whether to wrap Fortran compiler calls... no

 ==============================================================================
 === Debugging                                                              ===
 ==============================================================================

checking debugging status... enabled (profile mode: basic)
configure: setting C debug flags to '-g'
configure: setting C++ debug flags to '-g'
configure: setting Fortran debug flags to '-g'
checking whether to activate debug mode in source files... no
checking which cc debug flags to apply... gnu/default/default
checking which cxx debug flags to apply... none/none/none
checking which fc debug flags to apply... intel/10.1/default
checking whether to activate design-by-contract debugging... no

 ==============================================================================
 === Optimizations                                                          ===
 ==============================================================================

checking optimization status... enabled (profile mode: standard)
checking which cc optimizations to apply... gnu/4.1/default
checking which cxx optimizations to apply... gnu/4.1/default
checking which fc optimizations to apply... intel/10.1/intel_xeon
checking whether to apply per-directory optimizations... yes

 ==============================================================================
 === 64-bit support                                                         ===
 ==============================================================================

checking for a 64-bit architecture... yes
checking whether to use 64-bit flags... no
checking for user-defined 64-bit flags... 

 ==============================================================================
 === Build flags                                                            ===
 ==============================================================================

configure: static builds may be performed

 ==============================================================================
 === Advanced compiler features                                             ===
 ==============================================================================

checking stddef.h usability... yes
checking stddef.h presence... yes
checking for stddef.h... yes
checking stdarg.h usability... yes
checking stdarg.h presence... yes
checking for stdarg.h... yes
checking stdio.h usability... yes
checking stdio.h presence... yes
checking for stdio.h... yes
checking malloc.h usability... yes
checking malloc.h presence... yes
checking for malloc.h... yes
checking math.h usability... yes
checking math.h presence... yes
checking for math.h... yes
checking termios.h usability... yes
checking termios.h presence... yes
checking for termios.h... yes
checking errno.h usability... yes
checking errno.h presence... yes
checking for errno.h... yes
checking mcheck.h usability... yes
checking mcheck.h presence... yes
checking for mcheck.h... yes
checking for abort... yes
checking size of char... 1
checking size of short... 2
checking size of int... 4
checking size of long... 8
checking size of long long... 8
checking size of unsigned int... 4
checking size of unsigned long... 8
checking size of unsigned long long... 8
checking size of float... 4
checking size of double... 8
checking size of long double... 16
checking size of size_t... 8
checking size of ptrdiff_t... 8
checking for an ANSI C-conforming const... yes
checking for size_t... yes
checking whether the Fortran compiler supports allocatable arrays in datatypes... yes
checking whether the Fortran compiler provides the iso_c_binding module... yes
checking whether the Fortran compiler accepts exit()... yes
checking whether the Fortran compiler accepts flush()... yes
checking whether the Fortran compiler accepts flush_()... no
checking whether the Fortran compiler accepts gamma()... no
checking whether the Fortran compiler accepts getenv()... yes
checking whether the Fortran compiler accepts getpid()... yes
checking whether the Fortran compiler accepts the null() intrinsic... yes
checking whether the Fortran compiler accepts quadruple integers... no
checking whether the Fortran compiler accepts long lines... yes
checking whether the Fortran compiler supports stream IO... yes
checking whether the Fortran compiler accepts etime()... yes
checking whether to use C clock for timings... no

 ==============================================================================
 === Connectors / Fallbacks                                                 ===
 ==============================================================================

checking whether the C compiler supports MPI... no
checking whether the C++ compiler supports MPI... no
checking whether the Fortran Compiler supports MPI... yes
checking whether MPI is usable... no
configure: enabling MPI I/O support
checking whether to build MPI code... yes
checking whether to build MPI I/O code... yes
checking whether to build MPI time tracing code... no
checking which level of MPI is supported by the Fortran compiler... 2
checking whether the MPI library supports MPI_CREATE_TYPE_STRUCT... no
checking whether to activate GPU support... no
checking for the requested transferable I/O support... netcdf+etsf_io
checking netcdf.h usability... no
checking netcdf.h presence... no
checking for netcdf.h... no
checking for library containing nc_open... no
checking for Fortran module includes... unknown
checking for the actual transferable I/O support... netcdf-fallback+etsf_io-fallback
checking for the requested timer support... abinit
checking for the actual timer support... abinit
checking for the requested linear algebra support... netlib
checking for library containing zgemm... no
checking for library containing zhpev... no
checking whether we have a serial linear algebra support... no
checking whether we have a parallel linear algebra support... no
checking for the actual linear algebra support... netlib-fallback
checking for the requested math support... none
checking for the actual math support... none
checking for the requested FFT support... none
checking for the actual FFT support... none
checking for the requested DFT support... atompaw+bigdft+libxc+wannier90
checking xc.h usability... no
checking xc.h presence... no
checking for xc.h... no
checking xc_funcs.h usability... no
checking xc_funcs.h presence... no
checking for xc_funcs.h... no
checking for library containing xc_func_init... no
checking for Fortran module includes... unknown
checking for the actual DFT support... libxc-fallback+atompaw-fallback+bigdft-fallback+wannier90-fallback
configure: using former plugins as a temporary workaround
configure: fallbacks to enable => atompaw bigdft etsf_io libxc linalg netcdf wannier90
checking whether to build atompaw... yes
checking whether to build bigdft... yes
checking whether to build etsf_io... yes
checking whether to build fox... no
checking whether to build libxc... yes
checking whether to build linalg... yes
checking whether to build netcdf... yes
checking whether to build wannier90... yes
configure: using tarball repository /home/mpagani.cct/.abinit/tarballs
checking for a source tarball of LINALG... yes
checking for md5sum... md5sum
configure: tarball MD5 check succeeded
configure: applying LINALG tricks (vendor: intel, version: 10.1)
checking whether to enable the LINALG fallback... yes
checking whether to build the LINALG fallback... yes
checking whether to enable the FOX fallback... no
checking whether to build the FOX fallback... no
checking for a source tarball of NETCDF... yes
configure: tarball MD5 check succeeded
configure: applying NetCDF tricks (vendor: intel, version: 10.1)
checking whether to enable the NETCDF fallback... yes
checking whether to build the NETCDF fallback... yes
checking for a source tarball of ETSF_IO... yes
configure: tarball MD5 check succeeded
configure: applying ETSF_IO tricks (vendor: intel, version: 10.1)
checking whether to enable the ETSF_IO fallback... yes
checking whether to build the ETSF_IO fallback... yes
checking for a source tarball of LIBXC... yes
configure: tarball MD5 check succeeded
configure: applying LIBXC tricks
checking whether to enable the LIBXC fallback... yes
checking whether to build the LIBXC fallback... yes
checking for a source tarball of ATOMPAW... yes
configure: tarball MD5 check succeeded
configure: applying AtomPAW tricks (vendor: intel, version: 10.1)
checking whether to enable the ATOMPAW fallback... yes
checking whether to build the ATOMPAW fallback... yes
checking for a source tarball of BIGDFT... yes
configure: tarball MD5 check succeeded
configure: applying BigDFT tricks (vendor: intel, version: 10.1)
checking whether to enable the BIGDFT fallback... yes
checking whether to build the BIGDFT fallback... yes
checking for a source tarball of WANNIER90... yes
configure: tarball MD5 check succeeded
configure: applying Wannier90 tricks (vendor: intel, version: 10.1)
checking whether to enable the WANNIER90 fallback... yes
checking whether to build the WANNIER90 fallback... yes

 ==============================================================================
 === Nightly builds                                                         ===
 ==============================================================================

checking whether to build test timeout code... no
checking timeout for automatic tests... none

 ==============================================================================
 === Experimental developments                                              ===
 ==============================================================================

checking whether to enable bindings... no
checking whether to enable BSE unpacking... no
checking whether to enable CLib... no
checking whether to build exports... no
checking whether to accelerate 'make check'... no
checking whether to enable GW cut-off... no
checking whether to enable GW double-precision calculations... no
checking whether to enable openmp in the GW... no
checking whether to enable optimal GW... no
checking whether to enable GW wrapper... no
checking whether to activate maintainer checks... no
checking whether to use macroave... yes
checking whether to reduce 'make check' for packaging... no
checking whether to read input from stdin... yes
checking whether to activate Symmetric Multi-Processing... no
checking whether to activate ZDOTC and ZDOTU workaround... no

 ==============================================================================
 === Subsystems                                                             ===
 ==============================================================================

configure: the Abinit GUI will never be built

 ==============================================================================
 === Output                                                                 ===
 ==============================================================================

configure: creating ./config.status
config.status: creating config.dump
config.status: creating config.mk
config.status: creating config.pc
config.status: creating config.sh
config.status: creating config/wrappers/wrap-fc
config.status: creating src/incs/Makefile
config.status: creating src/mods/Makefile
config.status: creating src/16_hideleave/m_build_info.F90
config.status: creating tests/tests.env
config.status: creating tests/tests-install.env
config.status: creating Makefile
config.status: creating src/Makefile
config.status: creating src/01_gsl_ext/Makefile
config.status: creating src/01_interfaces_ext/Makefile
config.status: creating src/01_macroavnew_ext/Makefile
config.status: creating src/02_clib/Makefile
config.status: creating src/10_defs/Makefile
config.status: creating src/11_qespresso_ext/Makefile
config.status: creating src/12_hide_mpi/Makefile
config.status: creating src/14_hidewrite/Makefile
config.status: creating src/15_gpu_toolbox/Makefile
config.status: creating src/16_hideleave/Makefile
config.status: creating src/18_memory_mpi/Makefile
config.status: creating src/18_timing/Makefile
config.status: creating src/27_toolbox_oop/Makefile
config.status: creating src/28_numeric_noabirule/Makefile
config.status: creating src/32_contract/Makefile
config.status: creating src/32_util/Makefile
config.status: creating src/42_geometry/Makefile
config.status: creating src/42_nlstrain/Makefile
config.status: creating src/42_parser/Makefile
config.status: creating src/43_abitypes_defs/Makefile
config.status: creating src/43_ptgroups/Makefile
config.status: creating src/44_geomoptim/Makefile
config.status: creating src/45_psp_parser/Makefile
config.status: creating src/47_xml/Makefile
config.status: creating src/49_gw_toolbox_oop/Makefile
config.status: creating src/51_manage_cuda/Makefile
config.status: creating src/51_manage_mpi/Makefile
config.status: creating src/52_fft_mpi_noabirule/Makefile
config.status: creating src/53_abiutil/Makefile
config.status: creating src/53_ffts/Makefile
config.status: creating src/53_spacepar/Makefile
config.status: creating src/56_mixing/Makefile
config.status: creating src/56_recipspace/Makefile
config.status: creating src/56_xc/Makefile
config.status: creating src/57_iovars/Makefile
config.status: creating src/59_io_mpi/Makefile
config.status: creating src/61_ionetcdf/Makefile
config.status: creating src/62_cg_noabirule/Makefile
config.status: creating src/62_iowfdenpot/Makefile
config.status: creating src/62_occeig/Makefile
config.status: creating src/62_poisson/Makefile
config.status: creating src/62_wvl_wfs/Makefile
config.status: creating src/63_bader/Makefile
config.status: creating src/64_atompaw/Makefile
config.status: creating src/65_nonlocal/Makefile
config.status: creating src/65_psp/Makefile
config.status: creating src/66_paw/Makefile
config.status: creating src/66_wfs/Makefile
config.status: creating src/67_common/Makefile
config.status: creating src/68_dmft/Makefile
config.status: creating src/68_recursion/Makefile
config.status: creating src/68_rsprc/Makefile
config.status: creating src/69_wfdesc/Makefile
config.status: creating src/70_gw/Makefile
config.status: creating src/71_bse/Makefile
config.status: creating src/72_response/Makefile
config.status: creating src/77_ddb/Makefile
config.status: creating src/77_lwf/Makefile
config.status: creating src/77_suscep/Makefile
config.status: creating src/79_seqpar_mpi/Makefile
config.status: creating src/83_cut3d/Makefile
config.status: creating src/93_rdm/Makefile
config.status: creating src/95_drive/Makefile
config.status: creating src/98_main/Makefile
config.status: creating src/libs/Makefile
config.status: creating tests/Nightly/Makefile
config.status: creating plugins/Makefile
config.status: creating plugins/atompaw/Makefile
config.status: creating plugins/bigdft/Makefile
config.status: creating plugins/etsf_io/Makefile
config.status: creating plugins/fox/Makefile
config.status: creating plugins/libxc/Makefile
config.status: creating plugins/linalg/Makefile
config.status: creating plugins/netcdf/Makefile
config.status: creating plugins/wannier90/Makefile
config.status: creating bindings/Makefile
config.status: creating bindings/parser/Makefile
config.status: creating doc/Makefile
config.status: creating tests/Makefile
config.status: creating config.h
config.status: executing depfiles commands
config.status: executing dump-optim commands
config.status: executing script-perms commands
config.status: executing long-lines commands

 ==============================================================================
 === Final remarks                                                          ===
 ==============================================================================


        +--------------------------------------------------------------+
        | About the Intel Fortran compiler                             |
        +--------------------------------------------------------------+
        | Your compiler will work properly only if the LD_LIBRARY_PATH |
        | and INTEL_LICENSE_FILE environment variables are correctly   |
        | set-up. Please make sure that this is the case before        |
        | building ABINIT.                                             |
        |                                                              |
        | In most cases it means sourcing a script in the Intel        |
        | compiler install directory, e.g.:                            |
        |                                                              |
        | . /opt/intel/fc/9.1/bin/ifortvars.sh                         |
        |                                                              |
        | for a Bourne-like shell (do not forget the leading dot), or  |
        |                                                              |
        | source /opt/intel/fc/9.1/bin/ifortvars.csh                   |
        |                                                              |
        | for a C-like shell.                                          |
        |                                                              |
        | If you do not know what this is all about, please refer to   |
        | the Intel documentation or ask your system administrator.    |
        |                                                              |
        | Please note that the same holds for the Intel C and C++      |
        | compilers.                                                   |
        +--------------------------------------------------------------+


Summary of important options:

  * C compiler      : gnu version 4.1
  * Fortran compiler: intel version 10.1
  * architecture    : intel xeon (64 bits)

  * debugging       : basic
  * optimizations   : standard

  * MPI    enabled  : yes
  * MPI-IO enabled  : yes
  * GPU    enabled  : no (none)

  * TRIO   flavor = netcdf-fallback+etsf_io-fallback
  * TIMER  flavor = abinit (libs: ignored)
  * LINALG flavor = netlib-fallback (libs: internal)
  * FFT    flavor = none (libs: ignored)
  * MATH   flavor = none (libs: ignored)
  * DFT    flavor = libxc-fallback+atompaw-fallback+bigdft-fallback+wannier90-fallback

Configuration complete.
You may now type "make" to build ABINIT.
(or, on a SMP machine, "make mj4", or "make multi multi_nprocs=<n>")

And then when I do make mj4 or just make :

Code: Select all

make multi multi_nprocs=4 
make[1]: se ingresa al directorio `/home/mpagani.cct/abinit-6.10.1'
cd plugins && make 
make[2]: se ingresa al directorio `/home/mpagani.cct/abinit-6.10.1/plugins'
Making all in linalg
make[3]: se ingresa al directorio `/home/mpagani.cct/abinit-6.10.1/plugins/linalg'
make -f ../../plugins/linalg/linalg.mk 
make[4]: se ingresa al directorio `/home/mpagani.cct/abinit-6.10.1/plugins/linalg'
mkdir lapack-abinit_6.0
cd lapack-abinit_6.0; \
     gzip -cd /home/mpagani.cct/.abinit/tarballs/lapack-abinit_6.0.tar.gz | tar xf -
touch uncompress-stamp
lapack-abinit_6.0 has been uncompressed.
touch configure-stamp
lapack-abinit_6.0 has been configured.
cd lapack-abinit_6.0/blas && make \
     FC="gfortran" \
     FCFLAGS="-g   -O2 -mtune=native -march=native -mfpmath=sse -ffixed-form" \
     AR="ar" \
     ARFLAGS="rc" \
     RANLIB="ranlib"
make[5]: se ingresa al directorio `/home/mpagani.cct/abinit-6.10.1/plugins/linalg/lapack-abinit_6.0/blas'
gfortran -g   -O2 -mtune=native -march=native -mfpmath=sse -ffixed-form -c caxpy.f
caxpy.f:0: error: valor erróneo (native) para el interruptor -march=
caxpy.f:0: error: valor erróneo (native) para el interruptor -mtune=
make[5]: *** [caxpy.o] Error 1
make[5]: se sale del directorio `/home/mpagani.cct/abinit-6.10.1/plugins/linalg/lapack-abinit_6.0/blas'
make[4]: *** [build-stamp] Error 2
make[4]: se sale del directorio `/home/mpagani.cct/abinit-6.10.1/plugins/linalg'
make[3]: *** [package-ready] Error 2
make[3]: se sale del directorio `/home/mpagani.cct/abinit-6.10.1/plugins/linalg'
make[2]: *** [all-recursive] Error 1
make[2]: se sale del directorio `/home/mpagani.cct/abinit-6.10.1/plugins'
make[1]: *** [multi] Error 2
make[1]: se sale del directorio `/home/mpagani.cct/abinit-6.10.1'
make: *** [mj4] Error 2

If I configure it like this

./configure AR="/usr/bin/ar" CCPFLAGS="-D_LINUX -DPOINTER8 -DFFT_DEFAULT -DLINUX_IFC -DPARALLEL=PARALLEL -DINTEL_MKL" FC="/opt/mpich/intel/bin/mpif90" --enable-mpi

Code: Select all

 ==============================================================================
 === Overall startup                                                        ===
 ==============================================================================

checking build system type... x86_64-unknown-linux-gnu
checking host system type... x86_64-unknown-linux-gnu
checking target system type... x86_64-unknown-linux-gnu
checking for a BSD-compatible install... /usr/local/bin/install -c
checking whether build environment is sane... yes
checking for a thread-safe mkdir -p... /bin/mkdir -p
checking for gawk... gawk
checking whether make sets $(MAKE)... yes
checking whether make sets $(MAKE)... (cached) yes
checking whether ln -s works... yes
checking for a sed that does not truncate output... /bin/sed
checking for gawk... (cached) gawk
checking for grep that handles long lines and -e... /bin/grep
checking for egrep... /bin/grep -E
configure: not loading options (no config file available)

 ==============================================================================
 === Build-system information                                               ===
 ==============================================================================

configure: ABINIT version 6.10.1
configure: M4 010416 - Autoconf 026800 - Automake 011100 - Libtool 020204
configure: reporting user interface changes:
configure:  * new option --enable-gw-openmp is available

 ==============================================================================
 === Option consistency checking                                            ===
 ==============================================================================

configure: checking consistency of library-related options
configure:  |---> all OK
configure: 
configure: checking consistency of plug-in options
configure:  |---> all OK
configure: 
configure: checking consistency of experimental options
configure:  |---> all OK
configure: 
configure:  |---> all OK
configure: 
configure: parsing command-line options

 ==============================================================================
 === Connector startup                                                      ===
 ==============================================================================

configure: Initializing MPI support
checking for mpirun... mpirun
configure: compiler checks deferred
configure: GPU support disabled from command-line

 ==============================================================================
 === Utilities                                                              ===
 ==============================================================================

checking for sh... /bin/sh
checking for mv... /bin/mv
checking for perl... /usr/local/bin/perl
checking for rm... /bin/rm
checking for dvips... dvips
checking for dvipdf... dvipdf
checking for latex... latex
checking for markdown... no
checking for patch... patch
checking for ps2pdf... ps2pdf
checking for tar... tar
checking for wget... wget
checking for curl... curl
configure: using internal version of MarkDown

 ==============================================================================
 === C support                                                              ===
 ==============================================================================

checking for gcc... gcc
checking whether the C compiler works... yes
checking for C compiler default output file name... a.out
checking for suffix of executables... 
checking whether we are cross compiling... no
checking for suffix of object files... o
checking whether we are using the GNU C compiler... yes
checking whether gcc accepts -g... yes
checking for gcc option to accept ISO C89... none needed
checking for style of include used by make... GNU
checking dependency style of gcc... gcc3
checking how to run the C preprocessor... /usr/bin/cpp
checking which type of compiler we have... gnu 4.1
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 whether byte ordering is bigendian... no

 ==============================================================================
 === C++ support                                                            ===
 ==============================================================================

checking for g++... g++
checking whether we are using the GNU C++ compiler... yes
checking whether g++ accepts -g... yes
checking dependency style of g++... gcc3
checking which type of C++ compiler we have... gnu 4.1

 ==============================================================================
 === Fortran support                                                        ===
 ==============================================================================

checking whether we are using the GNU Fortran compiler... no
checking whether /opt/mpich/intel/bin/mpif90 accepts -g... yes
checking which type of Fortran compiler we have... intel 10.1
checking fortran 90 modules extension... mod
checking for Fortran flag to compile .F90 files... none
configure: determining Fortran module case
checking whether Fortran modules are upper-case... no
checking how to get verbose linking output from /opt/mpich/intel/bin/mpif90... -v
checking for Fortran libraries of /opt/mpich/intel/bin/mpif90...  -L/opt/mpich/intel/lib -L/opt/intel/mkl/10.0.3.020/lib/em64t -L/opt/intel/fce/10.1.018/lib -L/usr/lib/gcc/x86_64-redhat-linux/4.1.2/ -L/usr/lib/gcc/x86_64-redhat-linux/4.1.2/../../../../lib64 -lmpichf90 -lmpich -lpthread -lrt -lifport -lifcore -limf -lsvml -lm -lipgo -lirc -lirc_s -ldl
checking for dummy main to link with Fortran libraries... none
checking for Fortran name-mangling scheme... lower case, underscore, no extra underscore

 ==============================================================================
 === Python support                                                         ===
 ==============================================================================

checking for python... python
checking for Python CPPFLAGS... -I/usr/include/python2.4 -I/usr/lib64/python2.4/site-packages/numpy/core/include
checking for bzr... no
checking for Python NumPy headers... found

 ==============================================================================
 === Libraries and linking                                                  ===
 ==============================================================================

checking for ranlib... ranlib

 ==============================================================================
 === Hints                                                                  ===
 ==============================================================================

checking for cpp... cpp
checking for a true C preprocessor... cpp
checking which cpp hints to apply... default/default/default
checking which cc hints to apply... gnu/default/default
checking which xpp hints to apply... none/none/none
checking which cxx hints to apply... gnu/default/default
checking which fpp hints to apply... default/default/default
checking which fc hints to apply... intel/10.1/default
checking which ar hints to apply... none/none/none
checking which Fortran preprocessor to use... 
checking which Fortran preprocessor flags to apply... 
checking whether to wrap Fortran compiler calls... no

 ==============================================================================
 === Debugging                                                              ===
 ==============================================================================

checking debugging status... enabled (profile mode: basic)
configure: setting C debug flags to '-g'
configure: setting C++ debug flags to '-g'
configure: setting Fortran debug flags to '-g'
checking whether to activate debug mode in source files... no
checking which cc debug flags to apply... gnu/default/default
checking which cxx debug flags to apply... none/none/none
checking which fc debug flags to apply... intel/10.1/default
checking whether to activate design-by-contract debugging... no

 ==============================================================================
 === Optimizations                                                          ===
 ==============================================================================

checking optimization status... enabled (profile mode: standard)
checking which cc optimizations to apply... gnu/4.1/default
checking which cxx optimizations to apply... gnu/4.1/default
checking which fc optimizations to apply... intel/10.1/intel_xeon
checking whether to apply per-directory optimizations... yes

 ==============================================================================
 === 64-bit support                                                         ===
 ==============================================================================

checking for a 64-bit architecture... yes
checking whether to use 64-bit flags... no
checking for user-defined 64-bit flags... 

 ==============================================================================
 === Build flags                                                            ===
 ==============================================================================

configure: static builds may be performed

 ==============================================================================
 === Advanced compiler features                                             ===
 ==============================================================================

checking stddef.h usability... yes
checking stddef.h presence... yes
checking for stddef.h... yes
checking stdarg.h usability... yes
checking stdarg.h presence... yes
checking for stdarg.h... yes
checking stdio.h usability... yes
checking stdio.h presence... yes
checking for stdio.h... yes
checking malloc.h usability... yes
checking malloc.h presence... yes
checking for malloc.h... yes
checking math.h usability... yes
checking math.h presence... yes
checking for math.h... yes
checking termios.h usability... yes
checking termios.h presence... yes
checking for termios.h... yes
checking errno.h usability... yes
checking errno.h presence... yes
checking for errno.h... yes
checking mcheck.h usability... yes
checking mcheck.h presence... yes
checking for mcheck.h... yes
checking for abort... yes
checking size of char... 1
checking size of short... 2
checking size of int... 4
checking size of long... 8
checking size of long long... 8
checking size of unsigned int... 4
checking size of unsigned long... 8
checking size of unsigned long long... 8
checking size of float... 4
checking size of double... 8
checking size of long double... 16
checking size of size_t... 8
checking size of ptrdiff_t... 8
checking for an ANSI C-conforming const... yes
checking for size_t... yes
checking whether the Fortran compiler supports allocatable arrays in datatypes... yes
checking whether the Fortran compiler provides the iso_c_binding module... yes
checking whether the Fortran compiler accepts exit()... yes
checking whether the Fortran compiler accepts flush()... yes
checking whether the Fortran compiler accepts flush_()... no
checking whether the Fortran compiler accepts gamma()... no
checking whether the Fortran compiler accepts getenv()... yes
checking whether the Fortran compiler accepts getpid()... yes
checking whether the Fortran compiler accepts the null() intrinsic... yes
checking whether the Fortran compiler accepts quadruple integers... no
checking whether the Fortran compiler accepts long lines... yes
checking whether the Fortran compiler supports stream IO... yes
checking whether the Fortran compiler accepts etime()... yes
checking whether to use C clock for timings... no

 ==============================================================================
 === Connectors / Fallbacks                                                 ===
 ==============================================================================

checking whether the C compiler supports MPI... no
checking whether the C++ compiler supports MPI... no
checking whether the Fortran Compiler supports MPI... yes
checking whether MPI is usable... no
configure: enabling MPI I/O support
checking whether to build MPI code... yes
checking whether to build MPI I/O code... yes
checking whether to build MPI time tracing code... no
checking which level of MPI is supported by the Fortran compiler... 2
checking whether the MPI library supports MPI_CREATE_TYPE_STRUCT... no
checking whether to activate GPU support... no
checking for the requested transferable I/O support... netcdf+etsf_io
checking netcdf.h usability... no
checking netcdf.h presence... no
checking for netcdf.h... no
checking for library containing nc_open... no
checking for Fortran module includes... unknown
checking for the actual transferable I/O support... netcdf-fallback+etsf_io-fallback
checking for the requested timer support... abinit
checking for the actual timer support... abinit
checking for the requested linear algebra support... netlib
checking for library containing zgemm... no
checking for library containing zhpev... no
checking whether we have a serial linear algebra support... no
checking whether we have a parallel linear algebra support... no
checking for the actual linear algebra support... netlib-fallback
checking for the requested math support... none
checking for the actual math support... none
checking for the requested FFT support... none
checking for the actual FFT support... none
checking for the requested DFT support... atompaw+bigdft+libxc+wannier90
checking xc.h usability... no
checking xc.h presence... no
checking for xc.h... no
checking xc_funcs.h usability... no
checking xc_funcs.h presence... no
checking for xc_funcs.h... no
checking for library containing xc_func_init... no
checking for Fortran module includes... unknown
checking for the actual DFT support... libxc-fallback+atompaw-fallback+bigdft-fallback+wannier90-fallback
configure: using former plugins as a temporary workaround
configure: fallbacks to enable => atompaw bigdft etsf_io libxc linalg netcdf wannier90
checking whether to build atompaw... yes
checking whether to build bigdft... yes
checking whether to build etsf_io... yes
checking whether to build fox... no
checking whether to build libxc... yes
checking whether to build linalg... yes
checking whether to build netcdf... yes
checking whether to build wannier90... yes
configure: using tarball repository /home/mpagani.cct/.abinit/tarballs
checking for a source tarball of LINALG... yes
checking for md5sum... md5sum
configure: tarball MD5 check succeeded
configure: applying LINALG tricks (vendor: intel, version: 10.1)
checking whether to enable the LINALG fallback... yes
checking whether to build the LINALG fallback... yes
checking whether to enable the FOX fallback... no
checking whether to build the FOX fallback... no
checking for a source tarball of NETCDF... yes
configure: tarball MD5 check succeeded
configure: applying NetCDF tricks (vendor: intel, version: 10.1)
checking whether to enable the NETCDF fallback... yes
checking whether to build the NETCDF fallback... yes
checking for a source tarball of ETSF_IO... yes
configure: tarball MD5 check succeeded
configure: applying ETSF_IO tricks (vendor: intel, version: 10.1)
checking whether to enable the ETSF_IO fallback... yes
checking whether to build the ETSF_IO fallback... yes
checking for a source tarball of LIBXC... yes
configure: tarball MD5 check succeeded
configure: applying LIBXC tricks
checking whether to enable the LIBXC fallback... yes
checking whether to build the LIBXC fallback... yes
checking for a source tarball of ATOMPAW... yes
configure: tarball MD5 check succeeded
configure: applying AtomPAW tricks (vendor: intel, version: 10.1)
checking whether to enable the ATOMPAW fallback... yes
checking whether to build the ATOMPAW fallback... yes
checking for a source tarball of BIGDFT... yes
configure: tarball MD5 check succeeded
configure: applying BigDFT tricks (vendor: intel, version: 10.1)
checking whether to enable the BIGDFT fallback... yes
checking whether to build the BIGDFT fallback... yes
checking for a source tarball of WANNIER90... yes
configure: tarball MD5 check succeeded
configure: applying Wannier90 tricks (vendor: intel, version: 10.1)
checking whether to enable the WANNIER90 fallback... yes
checking whether to build the WANNIER90 fallback... yes

 ==============================================================================
 === Nightly builds                                                         ===
 ==============================================================================

checking whether to build test timeout code... no
checking timeout for automatic tests... none

 ==============================================================================
 === Experimental developments                                              ===
 ==============================================================================

checking whether to enable bindings... no
checking whether to enable BSE unpacking... no
checking whether to enable CLib... no
checking whether to build exports... no
checking whether to accelerate 'make check'... no
checking whether to enable GW cut-off... no
checking whether to enable GW double-precision calculations... no
checking whether to enable openmp in the GW... no
checking whether to enable optimal GW... no
checking whether to enable GW wrapper... no
checking whether to activate maintainer checks... no
checking whether to use macroave... yes
checking whether to reduce 'make check' for packaging... no
checking whether to read input from stdin... yes
checking whether to activate Symmetric Multi-Processing... no
checking whether to activate ZDOTC and ZDOTU workaround... no

 ==============================================================================
 === Subsystems                                                             ===
 ==============================================================================

configure: the Abinit GUI will never be built

 ==============================================================================
 === Output                                                                 ===
 ==============================================================================

configure: creating ./config.status
config.status: creating config.dump
config.status: creating config.mk
config.status: creating config.pc
config.status: creating config.sh
config.status: creating config/wrappers/wrap-fc
config.status: creating src/incs/Makefile
config.status: creating src/mods/Makefile
config.status: creating src/16_hideleave/m_build_info.F90
config.status: creating tests/tests.env
config.status: creating tests/tests-install.env
config.status: creating Makefile
config.status: creating src/Makefile
config.status: creating src/01_gsl_ext/Makefile
config.status: creating src/01_interfaces_ext/Makefile
config.status: creating src/01_macroavnew_ext/Makefile
config.status: creating src/02_clib/Makefile
config.status: creating src/10_defs/Makefile
config.status: creating src/11_qespresso_ext/Makefile
config.status: creating src/12_hide_mpi/Makefile
config.status: creating src/14_hidewrite/Makefile
config.status: creating src/15_gpu_toolbox/Makefile
config.status: creating src/16_hideleave/Makefile
config.status: creating src/18_memory_mpi/Makefile
config.status: creating src/18_timing/Makefile
config.status: creating src/27_toolbox_oop/Makefile
config.status: creating src/28_numeric_noabirule/Makefile
config.status: creating src/32_contract/Makefile
config.status: creating src/32_util/Makefile
config.status: creating src/42_geometry/Makefile
config.status: creating src/42_nlstrain/Makefile
config.status: creating src/42_parser/Makefile
config.status: creating src/43_abitypes_defs/Makefile
config.status: creating src/43_ptgroups/Makefile
config.status: creating src/44_geomoptim/Makefile
config.status: creating src/45_psp_parser/Makefile
config.status: creating src/47_xml/Makefile
config.status: creating src/49_gw_toolbox_oop/Makefile
config.status: creating src/51_manage_cuda/Makefile
config.status: creating src/51_manage_mpi/Makefile
config.status: creating src/52_fft_mpi_noabirule/Makefile
config.status: creating src/53_abiutil/Makefile
config.status: creating src/53_ffts/Makefile
config.status: creating src/53_spacepar/Makefile
config.status: creating src/56_mixing/Makefile
config.status: creating src/56_recipspace/Makefile
config.status: creating src/56_xc/Makefile
config.status: creating src/57_iovars/Makefile
config.status: creating src/59_io_mpi/Makefile
config.status: creating src/61_ionetcdf/Makefile
config.status: creating src/62_cg_noabirule/Makefile
config.status: creating src/62_iowfdenpot/Makefile
config.status: creating src/62_occeig/Makefile
config.status: creating src/62_poisson/Makefile
config.status: creating src/62_wvl_wfs/Makefile
config.status: creating src/63_bader/Makefile
config.status: creating src/64_atompaw/Makefile
config.status: creating src/65_nonlocal/Makefile
config.status: creating src/65_psp/Makefile
config.status: creating src/66_paw/Makefile
config.status: creating src/66_wfs/Makefile
config.status: creating src/67_common/Makefile
config.status: creating src/68_dmft/Makefile
config.status: creating src/68_recursion/Makefile
config.status: creating src/68_rsprc/Makefile
config.status: creating src/69_wfdesc/Makefile
config.status: creating src/70_gw/Makefile
config.status: creating src/71_bse/Makefile
config.status: creating src/72_response/Makefile
config.status: creating src/77_ddb/Makefile
config.status: creating src/77_lwf/Makefile
config.status: creating src/77_suscep/Makefile
config.status: creating src/79_seqpar_mpi/Makefile
config.status: creating src/83_cut3d/Makefile
config.status: creating src/93_rdm/Makefile
config.status: creating src/95_drive/Makefile
config.status: creating src/98_main/Makefile
config.status: creating src/libs/Makefile
config.status: creating tests/Nightly/Makefile
config.status: creating plugins/Makefile
config.status: creating plugins/atompaw/Makefile
config.status: creating plugins/bigdft/Makefile
config.status: creating plugins/etsf_io/Makefile
config.status: creating plugins/fox/Makefile
config.status: creating plugins/libxc/Makefile
config.status: creating plugins/linalg/Makefile
config.status: creating plugins/netcdf/Makefile
config.status: creating plugins/wannier90/Makefile
config.status: creating bindings/Makefile
config.status: creating bindings/parser/Makefile
config.status: creating doc/Makefile
config.status: creating tests/Makefile
config.status: creating config.h
config.status: executing depfiles commands
config.status: executing dump-optim commands
config.status: executing script-perms commands
config.status: executing long-lines commands

 ==============================================================================
 === Final remarks                                                          ===
 ==============================================================================


        +--------------------------------------------------------------+
        | About the Intel Fortran compiler                             |
        +--------------------------------------------------------------+
        | Your compiler will work properly only if the LD_LIBRARY_PATH |
        | and INTEL_LICENSE_FILE environment variables are correctly   |
        | set-up. Please make sure that this is the case before        |
        | building ABINIT.                                             |
        |                                                              |
        | In most cases it means sourcing a script in the Intel        |
        | compiler install directory, e.g.:                            |
        |                                                              |
        | . /opt/intel/fc/9.1/bin/ifortvars.sh                         |
        |                                                              |
        | for a Bourne-like shell (do not forget the leading dot), or  |
        |                                                              |
        | source /opt/intel/fc/9.1/bin/ifortvars.csh                   |
        |                                                              |
        | for a C-like shell.                                          |
        |                                                              |
        | If you do not know what this is all about, please refer to   |
        | the Intel documentation or ask your system administrator.    |
        |                                                              |
        | Please note that the same holds for the Intel C and C++      |
        | compilers.                                                   |
        +--------------------------------------------------------------+


Summary of important options:

  * C compiler      : gnu version 4.1
  * Fortran compiler: intel version 10.1
  * architecture    : intel xeon (64 bits)

  * debugging       : basic
  * optimizations   : standard

  * MPI    enabled  : yes
  * MPI-IO enabled  : yes
  * GPU    enabled  : no (none)

  * TRIO   flavor = netcdf-fallback+etsf_io-fallback
  * TIMER  flavor = abinit (libs: ignored)
  * LINALG flavor = netlib-fallback (libs: internal)
  * FFT    flavor = none (libs: ignored)
  * MATH   flavor = none (libs: ignored)
  * DFT    flavor = libxc-fallback+atompaw-fallback+bigdft-fallback+wannier90-fallback

Configuration complete.
You may now type "make" to build ABINIT.
(or, on a SMP machine, "make mj4", or "make multi multi_nprocs=<n>")

Then it goes much better because it compiles a lot of time until it gives me this error : (I copy the last part)

Code: Select all

/usr/bin/ar rc lib10_defs.a defs_aimfields.o defs_aimprom.o defs_basis.o defs_datatypes.o defs_fftdata.o defs_parameters.o defs_suscep.o defs_time.o defs_wannier90.o defs_wvltypes.o 
ranlib lib10_defs.a
make[3]: se sale del directorio `/home/mpagani.cct/abinit-6.10.1/src/10_defs'
Making all in 11_qespresso_ext
make[3]: se ingresa al directorio `/home/mpagani.cct/abinit-6.10.1/src/11_qespresso_ext'
/opt/mpich/intel/bin/mpif90 -DHAVE_CONFIG_H -I. -I../.. -I../../src/incs -I../../src/incs   -free -module /home/mpagani.cct/abinit-6.10.1/src/mods -O2 -arch pn4 -tune pn4 -ip -mcmodel=large -xT -g -extend-source -vec-report0  -c -o flib_pwscf.o flib_pwscf.F90
/opt/mpich/intel/bin/mpif90 -DHAVE_CONFIG_H -I. -I../.. -I../../src/incs -I../../src/incs   -free -module /home/mpagani.cct/abinit-6.10.1/src/mods -O2 -arch pn4 -tune pn4 -ip -mcmodel=large -xT -g -extend-source -vec-report0  -c -o functionals_pwscf.o functionals_pwscf.F90
/opt/mpich/intel/bin/mpif90 -DHAVE_CONFIG_H -I. -I../.. -I../../src/incs -I../../src/incs   -free -module /home/mpagani.cct/abinit-6.10.1/src/mods -O2 -arch pn4 -tune pn4 -ip -mcmodel=large -xT -g -extend-source -vec-report0  -c -o m_pseudo_pwscf.o m_pseudo_pwscf.F90
/opt/mpich/intel/bin/mpif90 -DHAVE_CONFIG_H -I. -I../.. -I../../src/incs -I../../src/incs   -free -module /home/mpagani.cct/abinit-6.10.1/src/mods -O2 -arch pn4 -tune pn4 -ip -mcmodel=large -xT -g -extend-source -vec-report0  -c -o interfaces_11_qespresso_ext.o interfaces_11_qespresso_ext.F90
/opt/mpich/intel/bin/mpif90 -DHAVE_CONFIG_H -I. -I../.. -I../../src/incs -I../../src/incs   -free -module /home/mpagani.cct/abinit-6.10.1/src/mods -O2 -arch pn4 -tune pn4 -ip -mcmodel=large -xT -g -extend-source -vec-report0  -c -o read_upf_pwscf.o read_upf_pwscf.F90
rm -f lib11_qespresso_ext.a
/usr/bin/ar rc lib11_qespresso_ext.a flib_pwscf.o functionals_pwscf.o m_pseudo_pwscf.o read_upf_pwscf.o interfaces_11_qespresso_ext.o 
ranlib lib11_qespresso_ext.a
make[3]: se sale del directorio `/home/mpagani.cct/abinit-6.10.1/src/11_qespresso_ext'
Making all in 12_hide_mpi
make[3]: se ingresa al directorio `/home/mpagani.cct/abinit-6.10.1/src/12_hide_mpi'
/opt/mpich/intel/bin/mpif90 -DHAVE_CONFIG_H -I. -I../.. -I../../src/incs -I../../src/incs   -free -module /home/mpagani.cct/abinit-6.10.1/src/mods -O2 -arch pn4 -tune pn4 -ip -mcmodel=large -xT -g -extend-source -vec-report0  -c -o m_xmpi.o m_xmpi.F90
fortcom: Error: m_xmpi.F90, line 1553: The type of the actual argument differs from the type of the dummy argument.   [BLOCK_DISPL]
 call MPI_TYPE_STRUCT(ncount,block_length,block_displ,block_type,new_type,mpi_err)
------------------------------------------^
compilation aborted for m_xmpi.F90 (code 1)
make[3]: *** [m_xmpi.o] Error 1
make[3]: se sale del directorio `/home/mpagani.cct/abinit-6.10.1/src/12_hide_mpi'
make[2]: *** [all-recursive] Error 1
make[2]: se sale del directorio `/home/mpagani.cct/abinit-6.10.1/src'
make[1]: *** [all-recursive] Error 1
make[1]: se sale del directorio `/home/mpagani.cct/abinit-6.10.1'
make: *** [all] Error 2

Could someone please help me how to solve this problem? Thnx!!

[jbeuken]

Hi,

what is the version of MPICH2 ?

there is a bug in the version 1.4.1p1 , see detail in topic : http://forum.abinit.org/viewtopic.php?f=3&t=1206

you must use 1.3.x or the svn version

regards

jmb

[pouillon]

"CCPFLAGS" is not a valid name for preprocessing flags. And even if you had used the proper name "CPPFLAGS", it would not have had any effect, because Abinit does not use any of these defines. You should probably configure like this instead:

Code: Select all

../configure --enable-mpi --with-mpi-prefix="/opt/mpich/intel"

The error message you get is also a probable hint that you're using an outdated version of MPI. Although adding the "--disable-mpi-io" option may allow you to build Abinit, the best option is very likely to upgrade your MPI installation, in particular if you want to be able to use all features related to MPI.

[majo]

Hi,

what is the version of MPICH2 ?

there is a bug in the version 1.4.1p1 , see detail in topic : http://forum.abinit.org/viewtopic.php?f=3&t=1206

you must use 1.3.x or the svn version

regards

jmb

How do I find out the version of mpich?

[majo]

"CCPFLAGS" is not a valid name for preprocessing flags. And even if you had used the proper name "CPPFLAGS", it would not have had any effect, because Abinit does not use any of these defines. You should probably configure like this instead:

Code: Select all

../configure --enable-mpi --with-mpi-prefix="/opt/mpich/intel"

The error message you get is also a probable hint that you're using an outdated version of MPI. Although adding the "--disable-mpi-io" option may allow you to build Abinit, the best option is very likely to upgrade your MPI installation, in particular if you want to be able to use all features related to MPI.

Thanks, I'll try that ...

Regards

[jbeuken]

Hi,

what is the version of MPICH2 ?

there is a bug in the version 1.4.1p1 , see detail in topic : http://forum.abinit.org/viewtopic.php?f=3&t=1206

you must use 1.3.x or the svn version

regards

jmb

How do I find out the version of mpich?

mpif90 -v

mpif90 for MPICH2 version 1.3

jmb

[majo]

Hi,

what is the version of MPICH2 ?

there is a bug in the version 1.4.1p1 , see detail in topic : http://forum.abinit.org/viewtopic.php?f=3&t=1206

you must use 1.3.x or the svn version

regards

jmb

How do I find out the version of mpich?

mpif90 -v

mpif90 for MPICH2 version 1.3

jmb

Thnx but my version is 1.0.7 according to this :

Code: Select all

# /opt/mpich2/gnu/bin/mpif90 -v
mpif90 for 1.0.7
Usando especificaciones internas.
Objetivo: x86_64-redhat-linux
Configurado con: ../configure --prefix=/usr --mandir=/usr/share/man --infodir=/usr/share/info --enable-shared --enable-threads=posix --enable-checking=release --with-system-zlib --enable-__cxa_atexit --disable-libunwind-exceptions --enable-libgcj-multifile --enable-languages=c,c++,objc,obj-c++,java,fortran,ada --enable-java-awt=gtk --disable-dssi --enable-plugin --with-java-home=/usr/lib/jvm/java-1.4.2-gcj-1.4.2.0/jre --with-cpu=generic --host=x86_64-redhat-linux
Modelo de hilos: posix
gcc versión 4.1.2 20071124 (Red Hat 4.1.2-42)

If I make just "mpif90 -v" :

Code: Select all

# mpif90 -v
mpif90 for the Intel(R) MPI Library 3.1 for Linux
Conduciendo: gfortran -v -I/opt/intel/impi/3.1/include64/gfortran -I/opt/intel/impi/3.1/include64 -L/opt/intel/impi/3.1/lib64 -Xlinker -rpath -Xlinker /opt/intel/impi/3.1/lib64 -Xlinker -rpath -Xlinker /opt/intel/mpi-rt/3.1 -lmpi -lmpigf -lmpigi -lrt -lpthread -ldl -lgfortranbegin -lgfortran -lm -shared-libgcc
Usando especificaciones internas.
Objetivo: x86_64-redhat-linux
Configurado con: ../configure --prefix=/usr --mandir=/usr/share/man --infodir=/usr/share/info --enable-shared --enable-threads=posix --enable-checking=release --with-system-zlib --enable-__cxa_atexit --disable-libunwind-exceptions --enable-libgcj-multifile --enable-languages=c,c++,objc,obj-c++,java,fortran,ada --enable-java-awt=gtk --disable-dssi --enable-plugin --with-java-home=/usr/lib/jvm/java-1.4.2-gcj-1.4.2.0/jre --with-cpu=generic --host=x86_64-redhat-linux
Modelo de hilos: posix
gcc versión 4.1.2 20071124 (Red Hat 4.1.2-42)
 /usr/libexec/gcc/x86_64-redhat-linux/4.1.2/collect2 --eh-frame-hdr -m elf_x86_64 --hash-style=gnu -dynamic-linker /lib64/ld-linux-x86-64.so.2 /usr/lib/gcc/x86_64-redhat-linux/4.1.2/../../../../lib64/crt1.o /usr/lib/gcc/x86_64-redhat-linux/4.1.2/../../../../lib64/crti.o /usr/lib/gcc/x86_64-redhat-linux/4.1.2/crtbegin.o -L/opt/intel/impi/3.1/lib64 -L/opt/intel/mkl/10.0.3.020/lib/em64t -L/usr/lib/gcc/x86_64-redhat-linux/4.1.2 -L/usr/lib/gcc/x86_64-redhat-linux/4.1.2 -L/usr/lib/gcc/x86_64-redhat-linux/4.1.2/../../../../lib64 -L/lib/../lib64 -L/usr/lib/../lib64 -rpath /opt/intel/impi/3.1/lib64 -rpath /opt/intel/mpi-rt/3.1 -lmpi -lmpigf -lmpigi -lrt -lpthread -ldl -lgfortranbegin -lgfortran -lm -lgcc_s -lgcc -lc -lgcc_s -lgcc /usr/lib/gcc/x86_64-redhat-linux/4.1.2/crtend.o /usr/lib/gcc/x86_64-redhat-linux/4.1.2/../../../../lib64/crtn.o
/usr/lib/gcc/x86_64-redhat-linux/4.1.2/libgfortranbegin.a(fmain.o): In function `main':
(.text+0xa): undefined reference to `MAIN__'
collect2: ld devolvió el estado de salida 1

[majo]

"CCPFLAGS" is not a valid name for preprocessing flags. And even if you had used the proper name "CPPFLAGS", it would not have had any effect, because Abinit does not use any of these defines. You should probably configure like this instead:

Code: Select all

../configure --enable-mpi --with-mpi-prefix="/opt/mpich/intel"

The error message you get is also a probable hint that you're using an outdated version of MPI. Although adding the "--disable-mpi-io" option may allow you to build Abinit, the best option is very likely to upgrade your MPI installation, in particular if you want to be able to use all features related to MPI.

Thanks, I'll try that ...

Regards

Well after compile it whith :

./configure --enable-mpi --disable-mpi-io --with-mpi-prefix="/opt/mpich/intel"

Code: Select all

ln: creando el enlace simbólico «mpif.h» a «/opt/mpich/intel/include/mpif.h»: El fichero ya existe
ln: creando el enlace simbólico «mpif.h» a «/opt/mpich/intel/include/mpif.h»: El fichero ya existeln: creando el enlace simbólico «mpif.h» a «/opt/mpich/intel/include/mpif.h»
: El fichero ya existe
/opt/mpich/intel/bin/mpif90 -DHAVE_CONFIG_H -I. -I../.. -I../../src/incs -I../../src/incs   -free -module /home/mpagani.cct/abinit-6.10.1/src/mods -O2 -arch pn4 -tune pn4 -ip -mcmodel=large -xT -g -extend-source -vec-report0  -c -o m_cppopts_dumper.o m_cppopts_dumper.F90
/opt/mpich/intel/bin/mpif90 -DHAVE_CONFIG_H -I. -I../.. -I../../src/incs -I../../src/incs   -free -module /home/mpagani.cct/abinit-6.10.1/src/mods -O2 -arch pn4 -tune pn4 -ip -mcmodel=large -xT -g -extend-source -vec-report0  -c -o m_optim_dumper.o m_optim_dumper.F90
/opt/mpich/intel/bin/mpif90 -DHAVE_CONFIG_H -I. -I../.. -I../../src/incs -I../../src/incs   -free -module /home/mpagani.cct/abinit-6.10.1/src/mods -O2 -arch pn4 -tune pn4 -ip -mcmodel=large -xT -g -extend-source -vec-report0  -c -o print_ierr.o print_ierr.F90
ln: creando el enlace simbólico «mpif.h» a «/opt/mpich/intel/include/mpif.h»: El fichero ya existe
/opt/mpich/intel/bin/mpif90 -DHAVE_CONFIG_H -I. -I../.. -I../../src/incs -I../../src/incs   -free -module /home/mpagani.cct/abinit-6.10.1/src/mods -O2 -arch pn4 -tune pn4 -ip -mcmodel=large -xT -g -extend-source -vec-report0  -c -o leave_new.o leave_new.F90
rm -f lib16_hideleave.a
ar rc lib16_hideleave.a leave_myproc.o leave_new.o m_build_info_fake.o m_cppopts_dumper.o print_ierr.o interfaces_16_hideleave.o m_build_info.o m_optim_dumper.o 
ranlib lib16_hideleave.a
make[5]: se sale del directorio `/home/mpagani.cct/abinit-6.10.1/src/16_hideleave'
Making all in 18_memory_mpi
make[5]: se ingresa al directorio `/home/mpagani.cct/abinit-6.10.1/src/18_memory_mpi'
/opt/mpich/intel/bin/mpif90 -DHAVE_CONFIG_H -I. -I../.. -I../../src/incs -I../../src/incs   -free -module /home/mpagani.cct/abinit-6.10.1/src/mods -O2 -arch pn4 -tune pn4 -ip -mcmodel=large -xT -g -extend-source -vec-report0  -c -o m_profiling.o m_profiling.F90
/opt/mpich/intel/bin/mpif90 -DHAVE_CONFIG_H -I. -I../.. -I../../src/incs -I../../src/incs   -free -module /home/mpagani.cct/abinit-6.10.1/src/mods -O2 -arch pn4 -tune pn4 -ip -mcmodel=large -xT -g -extend-source -vec-report0  -c -o interfaces_18_memory_mpi.o interfaces_18_memory_mpi.F90
ln: creando el enlace simbólico «mpif.h» a «/opt/mpich/intel/include/mpif.h»: El fichero ya existe
fortcom: Error: m_profiling.F90, line 114: Cannot open include file 'mpif.h'
      include 'mpif.h'
--------------^
fortcom: Error: m_profiling.F90, line 135: This name does not have a type, and must have an explicit type.   [MPI_COMM_WORLD]
            call MPI_COMM_RANK(MPI_COMM_WORLD,memproc,ierr)
-------------------------------^
compilation aborted for m_profiling.F90 (code 1)
make[5]: *** [m_profiling.o] Error 1
make[5]: se sale del directorio `/home/mpagani.cct/abinit-6.10.1/src/18_memory_mpi'
make[4]: *** [all-recursive] Error 1
make[4]: se sale del directorio `/home/mpagani.cct/abinit-6.10.1/src'
make[3]: *** [all-recursive] Error 1
make[3]: se sale del directorio `/home/mpagani.cct/abinit-6.10.1'
make[2]: *** [all] Error 2
make[2]: se sale del directorio `/home/mpagani.cct/abinit-6.10.1'
make[1]: *** [multi] Error 2
make[1]: se sale del directorio `/home/mpagani.cct/abinit-6.10.1'
make: *** [mj4] Error 2

[jbeuken]

Hi,

Thnx but my version is 1.0.7 according to this :

Code: Select all

# /opt/mpich2/gnu/bin/mpif90 -v
mpif90 for 1.0.7
gcc versión 4.1.2 20071124 (Red Hat 4.1.2-42)

sorry but it's a very too version of mpich2

the oldest version tested in our test farm is 1.2.1

it is difficult thing for me to solve the problem with such an old version

But, it seems also that you mix 2 MPI distro

# /opt/mpich2/gnu/bin/mpif90 -v
mpif90 for 1.0.7
...
# mpif90 -v
mpif90 for the Intel(R) MPI Library 3.1 for Linux
...

please set the PATH and/or LD_LIBRARY_PATH variables in agreement with the "good" MPI version you want to use...

jmb

[majo]

Hi,

Thnx but my version is 1.0.7 according to this :

Code: Select all

# /opt/mpich2/gnu/bin/mpif90 -v
mpif90 for 1.0.7
gcc versión 4.1.2 20071124 (Red Hat 4.1.2-42)

sorry but it's a very too version of mpich2

the oldest version tested in our test farm is 1.2.1

it is difficult thing for me to solve the problem with such an old version

But, it seems also that you mix 2 MPI distro

# /opt/mpich2/gnu/bin/mpif90 -v
mpif90 for 1.0.7
...
# mpif90 -v

...

please set the PATH and/or LD_LIBRARY_PATH variables in agreement with the "good" MPI version you want to use...

jmb

I would like to use the newer, mpif90 for the Intel(R) MPI Library 3.1 for Linux. Can I?

Code: Select all

# which mpif90
/opt/intel/impi/3.1/bin64/mpif90

I think my LD_LIBRARY_PATH is set correctly..Is it?

Code: Select all

 $LD_LIBRARY_PATH
-bash: /opt/gridengine/lib/lx26-amd64:/lib:/usr/local/lib64:/usr/java/jdk1.6.0_07/jre/lib/amd64/server:/usr/java/jdk1.6.0_07/jre/lib/amd64:/opt/gridengine/lib/lx26-amd64:/opt/intel/mkl/10.0.3.020/lib/em64t:/opt/intel/itac/7.1/itac/slib_impi3:/opt/intel/fce/10.1.018/lib:/opt/intel/cce/10.1.018/lib:/opt/intel/impi/3.1/lib64:/opt/intel/mkl/10.0.3.020/lib/em64t:/opt/gridengine/lib/lx26-amd64:/opt/intel/itac/7.1/itac/slib_impi3:/opt/intel/fce/10.1.018/lib:/opt/intel/cce/10.1.018/lib: No existe el fichero o el directorio

I still don't understand how should I configure it,

Thnx a lot !