ABINIT Discussion Forums

Dear all,
I'm trying to build a prallel version of abinit, but got a problem. See below:

Thank you in advance!

~hammouri
Cal State LA


./configure \
--enable-mpi \
--with-mpi-prefix="/opt/intel15/mpi/5.0.3.049/intel64" \
--with-linalg-flavor="mkl" \
--with-linalg-incs="-I/opt/intel15/composer_xe_2015.6.233/mkl/include/intel64/lp64" \
--with-linalg_libs="-L/opt/intel15/composer_xe_2015.6.233/mkl/lib/intel64 -Wl,--start-group -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -Wl,--end-group" \
--with-fft-flavor=fftw3-mkl \
--with-fft-libs="-L/opt/intel15/composer_xe_2015.6.233/mkl/lib/intel64 -Wl,--start-group -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -Wl,--end-group"
==============================================================================
=== Multicore architecture support ===
==============================================================================

checking whether to enable OpenMP support... no
checking whether to build MPI code... yes
checking whether MPI is usable... no
configure: error: MPI support is broken - please fix your config parameters and/or MPI installation
=========

/opt/intel15//impi/5.0.3.049/intel64/bin/mpif90

MKLROOT=/opt/intel15/composer_xe_2015.6.233/mkl
XDG_VTNR=7
MANPATH=/opt/intel15//impi/5.0.3.049/man:/opt/intel15/composer_xe_2015.6.233/man/en_US:/opt/intel15/composer_xe_2015.6.233/man/en_US:/opt/intel15/composer_xe_2015.6.233/man/en_US:/opt/intel15/composer_xe_2015.6.233/debugger/gdb/intel64/share/man/:/opt/intel15/composer_xe_2015.6.233/debugger/gdb/intel64_mic/share/man/:
MATE_DESKTOP_SESSION_ID=this-is-deprecated
GDB_HOST=/opt/intel15/composer_xe_2015.6.233/debugger/gdb/intel64_mic/bin/gdb-ia-mic
SSH_AGENT_PID=1551
XDG_SESSION_ID=c2
CLUTTER_IM_MODULE=xim
XDG_GREETER_DATA_DIR=/var/lib/lightdm-data/z402
QT_STYLE_OVERRIDE=gtk
INTEL_LICENSE_FILE=/opt/intel15/composer_xe_2015.6.233/licenses:/opt/intel/licenses:/home/z402/intel/licenses
IPPROOT=/opt/intel15/composer_xe_2015.6.233/ipp
GPG_AGENT_INFO=/run/user/1000/keyring-uHYBhh/gpg:0:1
USPEXPATH=/home/z402/USPEX/src
TERM=xterm
SHELL=/bin/bash
GDBSERVER_MIC=/opt/intel15/composer_xe_2015.6.233/debugger/gdb/target/mic/bin/gdbserver
BERRYPI_PATH=/home/z402/WIEN2k_17/SRC_BerryPI/BerryPI
LIBRARY_PATH=/opt/intel15/composer_xe_2015.6.233/compiler/lib/intel64:/opt/intel15/composer_xe_2015.6.233/mkl/lib/intel64:/opt/intel15/composer_xe_2015.6.233/compiler/lib/intel64:/opt/intel15/composer_xe_2015.6.233/ipp/../compiler/lib/intel64:/opt/intel15/composer_xe_2015.6.233/ipp/lib/intel64:/opt/intel15/composer_xe_2015.6.233/compiler/lib/intel64:/opt/intel15/composer_xe_2015.6.233/mkl/lib/intel64:/opt/intel15/composer_xe_2015.6.233/tbb/lib/intel64/gcc4.4
PDFREADER=evince
WINDOWID=56798561
GNOME_KEYRING_CONTROL=/run/user/1000/keyring-uHYBhh
OCTAVE_EXEC_PATH=/home/z402/WIEN2k_17:/home/z402/WIEN2k_17/SRC_structeditor/bin:/home/z402/WIEN2k_17/SRC_IRelast/script-elastic:/home/z402/VASP/src/vasp.5.3:/opt/intel15//impi/5.0.3.049/intel64/bin:/opt/intel15/composer_xe_2015.6.233/bin/intel64:/opt/intel15/composer_xe_2015.6.233/debugger/gdb/intel64_mic/bin:/usr/local/sbin:/usr/local/bin:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/usr/local/games:.::
MIC_LD_LIBRARY_PATH=/opt/intel15/composer_xe_2015.6.233/compiler/lib/mic:/opt/intel15/composer_xe_2015.6.233/mkl/lib/mic:/opt/intel15/composer_xe_2015.6.233/compiler/lib/mic:/opt/intel15/composer_xe_2015.6.233/mpirt/lib/mic:/opt/intel15/composer_xe_2015.6.233/compiler/lib/mic:/opt/intel15/composer_xe_2015.6.233/mkl/lib/mic:/opt/intel15/composer_xe_2015.6.233/tbb/lib/mic
GTK_MODULES=gail:atk-bridge:overlay-scrollbar:canberra-gtk-module
USER=z402
LD_LIBRARY_PATH=/opt/intel15//impi/5.0.3.049/intel64/lib:/opt/intel15/composer_xe_2015.6.233/compiler/lib/intel64:/opt/intel15/composer_xe_2015.6.233/mkl/lib/intel64:/opt/intel15/composer_xe_2015.6.233/compiler/lib/intel64:/opt/intel15/composer_xe_2015.6.233/mpirt/lib/intel64:/opt/intel15/composer_xe_2015.6.233/ipp/../compiler/lib/intel64:/opt/intel15/composer_xe_2015.6.233/ipp/lib/intel64:/opt/intel15/composer_xe_2015.6.233/ipp/tools/intel64/perfsys:/opt/intel15/composer_xe_2015.6.233/compiler/lib/intel64:/opt/intel15/composer_xe_2015.6.233/mkl/lib/intel64:/opt/intel15/composer_xe_2015.6.233/tbb/lib/intel64/gcc4.4:/opt/intel15/composer_xe_2015.6.233/debugger/libipt/intel64/lib
LS_COLORS=rs=0:di=01;34:ln=01;36:mh=00:pi=40;33:so=01;35:do=01;35:bd=40;33;01:cd=40;33;01:or=40;31;01:su=37;41:sg=30;43:ca=30;41:tw=30;42:ow=34;42:st=37;44:ex=01;32:*.tar=01;31:*.tgz=01;31:*.arj=01;31:*.taz=01;31:*.lzh=01;31:*.lzma=01;31:*.tlz=01;31:*.txz=01;31:*.zip=01;31:*.z=01;31:*.Z=01;31:*.dz=01;31:*.gz=01;31:*.lz=01;31:*.xz=01;31:*.bz2=01;31:*.bz=01;31:*.tbz=01;31:*.tbz2=01;31:*.tz=01;31:*.deb=01;31:*.rpm=01;31:*.jar=01;31:*.war=01;31:*.ear=01;31:*.sar=01;31:*.rar=01;31:*.ace=01;31:*.zoo=01;31:*.cpio=01;31:*.7z=01;31:*.rz=01;31:*.jpg=01;35:*.jpeg=01;35:*.gif=01;35:*.bmp=01;35:*.pbm=01;35:*.pgm=01;35:*.ppm=01;35:*.tga=01;35:*.xbm=01;35:*.xpm=01;35:*.tif=01;35:*.tiff=01;35:*.png=01;35:*.svg=01;35:*.svgz=01;35:*.mng=01;35:*.pcx=01;35:*.mov=01;35:*.mpg=01;35:*.mpeg=01;35:*.m2v=01;35:*.mkv=01;35:*.webm=01;35:*.ogm=01;35:*.mp4=01;35:*.m4v=01;35:*.mp4v=01;35:*.vob=01;35:*.qt=01;35:*.nuv=01;35:*.wmv=01;35:*.asf=01;35:*.rm=01;35:*.rmvb=01;35:*.flc=01;35:*.avi=01;35:*.fli=01;35:*.flv=01;35:*.gl=01;35:*.dl=01;35:*.xcf=01;35:*.xwd=01;35:*.yuv=01;35:*.cgm=01;35:*.emf=01;35:*.axv=01;35:*.anx=01;35:*.ogv=01;35:*.ogx=01;35:*.aac=00;36:*.au=00;36:*.flac=00;36:*.mid=00;36:*.midi=00;36:*.mka=00;36:*.mp3=00;36:*.mpc=00;36:*.ogg=00;36:*.ra=00;36:*.wav=00;36:*.axa=00;36:*.oga=00;36:*.spx=00;36:*.xspf=00;36:
QT_ACCESSIBILITY=1
XDG_SESSION_PATH=/org/freedesktop/DisplayManager/Session0
MIC_LIBRARY_PATH=/opt/intel15/composer_xe_2015.6.233/compiler/lib/mic:/opt/intel15/composer_xe_2015.6.233/mpirt/lib/mic:/opt/intel15/composer_xe_2015.6.233/tbb/lib/mic
XDG_SEAT_PATH=/org/freedesktop/DisplayManager/Seat0
CPATH=/opt/intel15/composer_xe_2015.6.233/mkl/include:/opt/intel15/composer_xe_2015.6.233/ipp/include:/opt/intel15/composer_xe_2015.6.233/mkl/include:/opt/intel15/composer_xe_2015.6.233/tbb/include
SSH_AUTH_SOCK=/run/user/1000/keyring-uHYBhh/ssh
SESSION_MANAGER=local/z402:@/tmp/.ICE-unix/1476,unix/z402:/tmp/.ICE-unix/1476
DEFAULTS_PATH=/usr/share/gconf/mate.default.path
OCTAVE_PATH=/home/z402/WIEN2k_17/SRC_structeditor/bin::
XDG_CONFIG_DIRS=/etc/xdg/xdg-mate:/etc/xdg
NLSPATH=/opt/intel15/composer_xe_2015.6.233/mkl/lib/intel64/locale/%l_%t/%N:/opt/intel15/composer_xe_2015.6.233/compiler/lib/intel64/locale/%l_%t/%N:/opt/intel15/composer_xe_2015.6.233/ipp/lib/intel64/locale/%l_%t/%N:/opt/intel15/composer_xe_2015.6.233/mkl/lib/intel64/locale/%l_%t/%N:/opt/intel15/composer_xe_2015.6.233/debugger/gdb/intel64_mic/share/locale/%l_%t/%N:/opt/intel15/composer_xe_2015.6.233/debugger/gdb/intel64/share/locale/%l_%t/%N
PATH=/home/z402/USPEX:/home/z402/CALYPSO_x64/bin:/home/z402/WIEN2k_17:/home/z402/WIEN2k_17/SRC_structeditor/bin:/home/z402/WIEN2k_17/SRC_IRelast/script-elastic:/home/z402/VASP/src/vasp.5.3:/opt/intel15//impi/5.0.3.049/intel64/bin:/opt/intel15/composer_xe_2015.6.233/bin/intel64:/opt/intel15/composer_xe_2015.6.233/debugger/gdb/intel64_mic/bin:/usr/local/sbin:/usr/local/bin:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/usr/local/games:.:/home/z402/WIEN2k_17:.
DESKTOP_SESSION=mate
STRUCTEDIT_PATH=/home/z402/WIEN2k_17/SRC_structeditor/bin
W2WEB_CASE_BASEDIR=/home/z402/WIEN2k
QT_IM_MODULE=ibus
QT_QPA_PLATFORMTHEME=appmenu-qt5
TBBROOT=/opt/intel15/composer_xe_2015.6.233/tbb
I_MPI_COMPATIBILITY=4
PWD=/home/z402/abinit-8.6.3
XMODIFIERS=@im=ibus
EDITOR=vim
GDB_CROSS=/opt/intel15/composer_xe_2015.6.233/debugger/gdb/intel64_mic/bin/gdb-mic
GNOME_KEYRING_PID=1474
LANG=en_US.UTF-8
GDM_LANG=en_US
MANDATORY_PATH=/usr/share/gconf/mate.mandatory.path
COMPIZ_CONFIG_PROFILE=mate
BERRYPI_PYTHON=/usr/bin/python2.7
GDMSESSION=mate
MPM_LAUNCHER=/opt/intel15/composer_xe_2015.6.233/debugger/mpm/bin/start_mpm.sh
INTEL_PYTHONHOME=/opt/intel15/composer_xe_2015.6.233/debugger/python/intel64/
XDG_SEAT=seat0
HOME=/home/z402
SHLVL=1
LANGUAGE=en_US
LOGNAME=z402
QT4_IM_MODULE=xim
XDG_DATA_DIRS=/usr/share/mate:/usr/local/share/:/usr/share/
DBUS_SESSION_BUS_ADDRESS=unix:abstract=/tmp/dbus-VvgWWb5tqC,guid=d17dd7091b68e5a502e2e9095a74ff52
OMP_NUM_THREADS=1
LESSOPEN=| /usr/bin/lesspipe %s
WIENROOT=/home/z402/WIEN2k_17
INFOPATH=/opt/intel15/composer_xe_2015.6.233/debugger/gdb/intel64/share/info/:/opt/intel15/composer_xe_2015.6.233/debugger/gdb/intel64_mic/share/info/
TEXTDOMAIN=im-config
XDG_RUNTIME_DIR=/run/user/1000
DISPLAY=:0.0
XDG_CURRENT_DESKTOP=MATE
GTK_IM_MODULE=ibus
LESSCLOSE=/usr/bin/lesspipe %s %s
SCRATCH=./
TEXTDOMAINDIR=/usr/share/locale/
I_MPI_ROOT=/opt/intel15//impi/5.0.3.049
COLORTERM=mate-terminal
XAUTHORITY=/home/z402/.Xauthority
_=/usr/bin/env
OLDPWD=/home/z402

Dear Hammouri,
In your config you mention the path
--with-mpi-prefix="/opt/intel15/mpi/5.0.3.049/intel64" \
and then you have the following path for mpif90:
/opt/intel15//impi/5.0.3.049/intel64/bin/mpif90
In one case you have /mpi/ and in the other /impi/, could it be the problem?
Cheers,
Eric

Thank you, Eric, for your quick reply and help.
I changed it to: --enable-impi \
--with-impi-prefix="/opt/intel15/impi/5.0.3.049/intel64" \
Just wondering if the parallel compile was included or not?
Summary of important options:

* C compiler : gnu version 4.8
* Fortran compiler: intel version 15.0
* architecture : intel xeon (64 bits)

* debugging : basic
* optimizations : standard

* OpenMP enabled : no (collapse: ignored)
* MPI enabled : no
* MPI-IO enabled : no
* GPU enabled : no (flavor: none)

* TRIO flavor = none
* TIMER flavor = abinit (libs: ignored)
* LINALG flavor = mkl (libs: user-defined)
* ALGO flavor = none (libs: ignored)
* FFT flavor = fftw3-mkl (libs: user-defined)
* MATH flavor = none (libs: ignored)
* DFT flavor = none

Got abinit to work:
./configure CC="/opt/intel15/impi/5.0.3.049/intel64/bin/mpiicc" CXX="/opt/intel15/impi/5.0.3.049/intel64/bin/mpiicpc" FC="/opt/intel15/impi/5.0.3.049/intel64/bin/mpiifort" --enable-mpi --enable-mpi-io MPI_RUNNER="/opt/intel15/impi/5.0.3.049/intel64/bin/mpirun" --with-mpi-libs="-L/opt/intel15/impi/5.0.3.049/intel64/lib -lmpi" --with-mpi-incs="-I/opt/intel15/impi/5.0.3.049/intel64/include" --with-linalg-flavor="mkl" --with-linalg-incs="-I/opt/intel15/composer_xe_2015.6.233/mkl/include/intel64/lp64" --with-linalg_libs="-L/opt/intel15/composer_xe_2015.6.233/mkl/lib/intel64 -Wl,--start-group -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -Wl,--end-group" --with-fft-flavor=fftw3-mkl --with-fft-libs="-L/opt/intel15/composer_xe_2015.6.233/mkl/lib/intel64 -Wl,--start-group -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -Wl,--end-group"