host: simbox ================================================================================================== mpiexec options: ---------------- Base path: /opt/intel2016/compilers_and_libraries_2016.2.181/linux/mpi/intel64/bin/ Launcher: ssh Debug level: 1 Enable X: -1 Global environment: ------------------- I_MPI_PERHOST=allcores LD_LIBRARY_PATH=/opt/intel2016/compilers_and_libraries_2016.2.181/linux/compiler/lib/intel64:/opt/intel2016/compilers_and_libraries_2016.2.181/linux/compiler/lib/intel64_lin:/opt/intel2016/compilers_and_libraries_2016.2.181/linux/mpi/intel64/lib:/opt/intel2016/compilers_and_libraries_2016.2.181/linux/mpi/mic/lib:/opt/intel2016/compilers_and_libraries_2016.2.181/linux/tbb/lib/intel64/gcc4.4:/opt/intel2016/compilers_and_libraries_2016.2.181/linux/compiler/lib/intel64:/opt/intel2016/compilers_and_libraries_2016.2.181/linux/mkl/lib/intel64:/opt/intel2016/debugger_2016/libipt/intel64/lib:/opt/cuda/lib64:/opt/openblas/lib:/home/sim/codes/lmp:/opt/magma/lib:/opt/intel2016/compilers_and_libraries_2016.2.181/linux/mpi/intel64/lib:/opt/intel2016/compilers_and_libraries_2016.2.181/linux/mpi/mic/lib LIBRARY_PATH=/opt/intel2016/compilers_and_libraries_2016.2.181/linux/tbb/lib/intel64/gcc4.4:/opt/intel2016/compilers_and_libraries_2016.2.181/linux/compiler/lib/intel64:/opt/intel2016/compilers_and_libraries_2016.2.181/linux/mkl/lib/intel64 LESSOPEN=| /usr/bin/lesspipe %s GNOME_KEYRING_PID=4163 USER=sim LANGUAGE=en_US:en UPSTART_INSTANCE= LC_TIME=en_US.UTF-8 EXCITINGROOT=/home/sim/SRCs/exciting XDG_SEAT=seat0 TEXTDOMAIN=im-config INTEL_PYTHONHOME=/opt/intel2016/debugger_2016/python/intel64/ SHLVL=1 INTEL_LICENSE_FILE=/opt/intel2016/compilers_and_libraries_2016.2.181/linux/licenses:/opt/intel/licenses:/home/sim/intel/licenses OLDPWD=/home/sim/test/espresso-5.0.3 HOME=/home/sim QT4_IM_MODULE=fcitx DESKTOP_SESSION=gnome-fallback GTK_MODULES=overlay-scrollbar:unity-gtk-module XDG_SEAT_PATH=/org/freedesktop/DisplayManager/Seat0 LC_MONETARY=en_US.UTF-8 MPM_LAUNCHER=/opt/intel2016/debugger_2016/mpm/mic/bin/start_mpm.sh INSTANCE=Unity DBUS_SESSION_BUS_ADDRESS=unix:abstract=/tmp/dbus-QdLS5GtStj COLORTERM=gnome-terminal GNOME_KEYRING_CONTROL=/run/user/1000/keyring-EToofq EXCITINGBIN=/home/sim/SRCs/exciting/bin EXCITINGASE=/home/sim/SRCs/exciting/tools/ase QT_QPA_PLATFORMTHEME=appmenu-qt5 MANDATORY_PATH=/usr/share/gconf/gnome-fallback.mandatory.path IM_CONFIG_PHASE=1 SESSIONTYPE=gnome-session INFOPATH=/opt/intel2016/documentation_2016/en/debugger//gdb-ia/info/:/opt/intel2016/documentation_2016/en/debugger//gdb-mic/info/:/opt/intel2016/documentation_2016/en/debugger//gdb-igfx/info/ UPSTART_JOB=unity-settings-daemon LOGNAME=sim GTK_IM_MODULE=fcitx EXCITINGATAT=/home/sim/SRCs/exciting/tools/ATAT@exciting WINDOWID=52429191 MIC_LIBRARY_PATH=/opt/intel2016/compilers_and_libraries_2016.2.181/linux/compiler/lib/mic:/opt/intel2016/compilers_and_libraries_2016.2.181/linux/mpi/mic/lib _=/opt/intel2016/compilers_and_libraries_2016.2.181/linux/mpi/intel64/bin/mpirun DEFAULTS_PATH=/usr/share/gconf/gnome-fallback.default.path XDG_SESSION_ID=c2 TERM=xterm GDBSERVER_MIC=/opt/intel2016/debugger_2016/gdb/targets/mic/bin/gdbserver PHI_ZGEMM_SPLIT=0.975 GNOME_DESKTOP_SESSION_ID=this-is-deprecated CUDADIR=/opt/cuda PATH=/opt/intel2016/compilers_and_libraries_2016.2.181/linux/bin/intel64:/opt/intel2016/compilers_and_libraries_2016.2.181/linux/mpi/intel64/bin:/opt/intel2016/debugger_2016/gdb/intel64_mic/bin:/home/sim/bin:/usr/local/sbin:/usr/local/bin:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/usr/local/games:/opt/cuda/bin:/home/sim/codes/siesta:/home/sim/codes/pwscf/:/home/sim/codes/lmp/:/home/sim/bin/:/home/sim/codes/pwscfgpu/:/home/sim/codes/atomeye:/home/sim/codes/ElaStic:/home/sim/codes/xcrysden-1.5.60-bin:/home/sim/codes/abinit/bin:/home/sim/codes/bigdft/bin:/home/sim/codes/openmx:/home/sim/codes/vasp:/home/sim/codes/aneto:/opt/torque/bin:/opt/torque/sbin:/home/sim/codes/elk:/home/sim/codes/cp2k:/home/sim/Accelrys/MaterialsStudio7.0/etc/CASTEP/bin:/home/sim/codes/castep-elastic-constants:/home/sim/codes/pypackage/pwtools/bin:/home/sim/SRCs/phonopy-1.10.0/bin:/home/sim/codes/ovito-2.6.1-x86_64/bin::/home/sim/SRCs/FPLO/FPLO/bin:/home/sim/SRCs/exciting/tools:/home/sim/SRCs/exciting/bin:/home/sim/SRCs/exciting/tools/ATAT@exciting:/home/sim/SRCs/exciting/tools/ase/tools SELINUX_INIT=YES MIC_LD_LIBRARY_PATH=/opt/intel2016/compilers_and_libraries_2016.2.181/linux/compiler/lib/mic:/opt/intel2016/compilers_and_libraries_2016.2.181/linux/mpi/mic/lib:/opt/intel2016/compilers_and_libraries_2016.2.181/linux/tbb/lib/mic:/opt/intel2016/compilers_and_libraries_2016.2.181/linux/compiler/lib/mic:/opt/intel2016/compilers_and_libraries_2016.2.181/linux/mkl/lib/mic GDM_LANG=en_US PAPERSIZE=letter LC_ADDRESS=en_US.UTF-8 XDG_SESSION_PATH=/org/freedesktop/DisplayManager/Session0 XDG_RUNTIME_DIR=/run/user/1000 LC_TELEPHONE=en_US.UTF-8 ATATROOT=/home/sim/SRCs/exciting/tools/atat LANG=en_US.UTF-8 XDG_CURRENT_DESKTOP=Unity 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: XMODIFIERS=@im=fcitx XAUTHORITY=/home/sim/.Xauthority XDG_GREETER_DATA_DIR=/var/lib/lightdm-data/sim SSH_AUTH_SOCK=/run/user/1000/keyring-EToofq/ssh SHELL=/bin/bash GSL_CONFIG=/opt/gsl/bin/gsl-config LC_NAME=en_US.UTF-8 casteppot=/home/sim/Accelrys/MaterialsStudio7.0/share/Resources/Quantum/Castep/Potentials/ GDMSESSION=gnome-fallback MKLROOT=/opt/intel2016/compilers_and_libraries_2016.2.181/linux/mkl LESSCLOSE=/usr/bin/lesspipe %s %s EXCITINGVISUAL=/home/sim/SRCs/exciting/xml/visualizationtemplates EXCITINGRUNDIR= LC_MEASUREMENT=en_US.UTF-8 UPSTART_EVENTS=started starting I_MPI_MPIRUN=mpirun GPG_AGENT_INFO=/run/user/1000/keyring-EToofq/gpg:0:1 UPSTART_SESSION=unix:abstract=/com/ubuntu/upstart-session/1000/4165 NLSPATH=/opt/intel2016/compilers_and_libraries_2016.2.181/linux/compiler/lib/intel64/locale/%l_%t/%N:/opt/intel2016/compilers_and_libraries_2016.2.181/linux/mkl/lib/intel64/locale/%l_%t/%N:/opt/intel2016/debugger_2016/gdb/intel64_mic/share/locale/%l_%t/%N:/opt/intel2016/debugger_2016/gdb/intel64/share/locale/%l_%t/%N LC_IDENTIFICATION=en_US.UTF-8 I_MPI_DEBUG=5 TEXTDOMAINDIR=/usr/share/locale/ XDG_VTNR=7 QT_IM_MODULE=xim PWD=/home/sim/test CLUTTER_IM_MODULE=xim XDG_CONFIG_DIRS=/etc/xdg/xdg-gnome-fallback:/usr/share/upstart/xdg:/etc/xdg I_MPI_HYDRA_DEBUG=1 XDG_DATA_DIRS=/usr/share/gnome-fallback:/usr/share/gnome:/usr/local/share/:/usr/share/ LC_NUMERIC=en_US.UTF-8 PHI_DGEMM_SPLIT=0.975 PYTHONPATH=/home/sim/codes/pypackage:/home/sim/SRCs/lammps-10Aug15/python:/home/sim/SRCs/phonopy-1.10.0/lib/python:/home/sim/SRCs/phono3py-0.9.14/lib/python:/home/sim/SRCs/exciting/tools/ase I_MPI_ROOT=/opt/intel2016/compilers_and_libraries_2016.2.181/linux/mpi LC_PAPER=en_US.UTF-8 CPATH=/opt/intel2016/compilers_and_libraries_2016.2.181/linux/mkl/include GDB_CROSS=/opt/intel2016/debugger_2016/gdb/intel64_mic/bin/gdb-mic EXCITINGSCRIPTS=/home/sim/SRCs/exciting/tools MANPATH=/opt/intel2016/man/common:/opt/intel2016/compilers_and_libraries_2016.2.181/linux/mpi/man:/opt/intel2016/compilers_and_libraries_2016.2.181/linux/man/en_US:/opt/intel2016/documentation_2016/en/debugger//gdb-ia/man/:/opt/intel2016/documentation_2016/en/debugger//gdb-mic/man/:/opt/intel2016/documentation_2016/en/debugger//gdb-igfx/man/:/usr/local/man:/usr/local/share/man:/usr/share/man: VTE_VERSION=3409 TIMEFORMAT= Elapsed time = %0lR JOB=gnome-session ElaSticROOT=/home/sim/codes/ElaStic Hydra internal environment: --------------------------- MPIR_CVAR_NEMESIS_ENABLE_CKPOINT=1 GFORTRAN_UNBUFFERED_PRECONNECTED=y I_MPI_HYDRA_UUID=95140000-cdcf-40de-be2d-050000017f00 IPATH_NO_BACKTRACE=1 DAPL_NETWORK_PROCESS_NUM=2 Proxy information: ********************* [1] proxy: simbox (4 cores) Exec list: /home/sim/test/espresso-5.0.3/bin/pw.x (2 processes); ================================================================================================== [mpiexec@simbox] Timeout set to -1 (-1 means infinite) [mpiexec@simbox] Got a control port string of simbox:51726 Proxy launch args: /opt/intel2016/compilers_and_libraries_2016.2.181/linux/mpi/intel64/bin/pmi_proxy --control-port simbox:51726 --debug --pmi-connect lazy-cache --pmi-aggregate -s 0 --rmk user --launcher ssh --demux poll --pgid 0 --enable-stdin 1 --retries 10 --control-code 1565798673 --usize -2 --proxy-id Arguments being passed to proxy 0: --version 3.1.2 --iface-ip-env-name MPIR_CVAR_CH3_INTERFACE_HOSTNAME --hostname simbox --global-core-map 0,4,4 --pmi-id-map 0,0 --global-process-count 2 --auto-cleanup 1 --pmi-kvsname kvs_5269_0 --pmi-process-mapping (vector,(0,1,4)) --topolib ipl --ckpointlib blcr --ckpoint-prefix /tmp --ckpoint-preserve 1 --ckpoint off --ckpoint-num -1 --global-inherited-env 103 'I_MPI_PERHOST=allcores' 'LD_LIBRARY_PATH=/opt/intel2016/compilers_and_libraries_2016.2.181/linux/compiler/lib/intel64:/opt/intel2016/compilers_and_libraries_2016.2.181/linux/compiler/lib/intel64_lin:/opt/intel2016/compilers_and_libraries_2016.2.181/linux/mpi/intel64/lib:/opt/intel2016/compilers_and_libraries_2016.2.181/linux/mpi/mic/lib:/opt/intel2016/compilers_and_libraries_2016.2.181/linux/tbb/lib/intel64/gcc4.4:/opt/intel2016/compilers_and_libraries_2016.2.181/linux/compiler/lib/intel64:/opt/intel2016/compilers_and_libraries_2016.2.181/linux/mkl/lib/intel64:/opt/intel2016/debugger_2016/libipt/intel64/lib:/opt/cuda/lib64:/opt/openblas/lib:/home/sim/codes/lmp:/opt/magma/lib:/opt/intel2016/compilers_and_libraries_2016.2.181/linux/mpi/intel64/lib:/opt/intel2016/compilers_and_libraries_2016.2.181/linux/mpi/mic/lib' 'LIBRARY_PATH=/opt/intel2016/compilers_and_libraries_2016.2.181/linux/tbb/lib/intel64/gcc4.4:/opt/intel2016/compilers_and_libraries_2016.2.181/linux/compiler/lib/intel64:/opt/intel2016/compilers_and_libraries_2016.2.181/linux/mkl/lib/intel64' 'LESSOPEN=| /usr/bin/lesspipe %s' 'GNOME_KEYRING_PID=4163' 'USER=sim' 'LANGUAGE=en_US:en' 'UPSTART_INSTANCE=' 'LC_TIME=en_US.UTF-8' 'EXCITINGROOT=/home/sim/SRCs/exciting' 'XDG_SEAT=seat0' 'TEXTDOMAIN=im-config' 'INTEL_PYTHONHOME=/opt/intel2016/debugger_2016/python/intel64/' 'SHLVL=1' 'INTEL_LICENSE_FILE=/opt/intel2016/compilers_and_libraries_2016.2.181/linux/licenses:/opt/intel/licenses:/home/sim/intel/licenses' 'OLDPWD=/home/sim/test/espresso-5.0.3' 'HOME=/home/sim' 'QT4_IM_MODULE=fcitx' 'DESKTOP_SESSION=gnome-fallback' 'GTK_MODULES=overlay-scrollbar:unity-gtk-module' 'XDG_SEAT_PATH=/org/freedesktop/DisplayManager/Seat0' 'LC_MONETARY=en_US.UTF-8' 'MPM_LAUNCHER=/opt/intel2016/debugger_2016/mpm/mic/bin/start_mpm.sh' 'INSTANCE=Unity' 'DBUS_SESSION_BUS_ADDRESS=unix:abstract=/tmp/dbus-QdLS5GtStj' 'COLORTERM=gnome-terminal' 'GNOME_KEYRING_CONTROL=/run/user/1000/keyring-EToofq' 'EXCITINGBIN=/home/sim/SRCs/exciting/bin' 'EXCITINGASE=/home/sim/SRCs/exciting/tools/ase' 'QT_QPA_PLATFORMTHEME=appmenu-qt5' 'MANDATORY_PATH=/usr/share/gconf/gnome-fallback.mandatory.path' 'IM_CONFIG_PHASE=1' 'SESSIONTYPE=gnome-session' 'INFOPATH=/opt/intel2016/documentation_2016/en/debugger//gdb-ia/info/:/opt/intel2016/documentation_2016/en/debugger//gdb-mic/info/:/opt/intel2016/documentation_2016/en/debugger//gdb-igfx/info/' 'UPSTART_JOB=unity-settings-daemon' 'LOGNAME=sim' 'GTK_IM_MODULE=fcitx' 'EXCITINGATAT=/home/sim/SRCs/exciting/tools/ATAT@exciting' 'WINDOWID=52429191' 'MIC_LIBRARY_PATH=/opt/intel2016/compilers_and_libraries_2016.2.181/linux/compiler/lib/mic:/opt/intel2016/compilers_and_libraries_2016.2.181/linux/mpi/mic/lib' '_=/opt/intel2016/compilers_and_libraries_2016.2.181/linux/mpi/intel64/bin/mpirun' 'DEFAULTS_PATH=/usr/share/gconf/gnome-fallback.default.path' 'XDG_SESSION_ID=c2' 'TERM=xterm' 'GDBSERVER_MIC=/opt/intel2016/debugger_2016/gdb/targets/mic/bin/gdbserver' 'PHI_ZGEMM_SPLIT=0.975' 'GNOME_DESKTOP_SESSION_ID=this-is-deprecated' 'CUDADIR=/opt/cuda' 'PATH=/opt/intel2016/compilers_and_libraries_2016.2.181/linux/bin/intel64:/opt/intel2016/compilers_and_libraries_2016.2.181/linux/mpi/intel64/bin:/opt/intel2016/debugger_2016/gdb/intel64_mic/bin:/home/sim/bin:/usr/local/sbin:/usr/local/bin:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/usr/local/games:/opt/cuda/bin:/home/sim/codes/siesta:/home/sim/codes/pwscf/:/home/sim/codes/lmp/:/home/sim/bin/:/home/sim/codes/pwscfgpu/:/home/sim/codes/atomeye:/home/sim/codes/ElaStic:/home/sim/codes/xcrysden-1.5.60-bin:/home/sim/codes/abinit/bin:/home/sim/codes/bigdft/bin:/home/sim/codes/openmx:/home/sim/codes/vasp:/home/sim/codes/aneto:/opt/torque/bin:/opt/torque/sbin:/home/sim/codes/elk:/home/sim/codes/cp2k:/home/sim/Accelrys/MaterialsStudio7.0/etc/CASTEP/bin:/home/sim/codes/castep-elastic-constants:/home/sim/codes/pypackage/pwtools/bin:/home/sim/SRCs/phonopy-1.10.0/bin:/home/sim/codes/ovito-2.6.1-x86_64/bin::/home/sim/SRCs/FPLO/FPLO/bin:/home/sim/SRCs/exciting/tools:/home/sim/SRCs/exciting/bin:/home/sim/SRCs/exciting/tools/ATAT@exciting:/home/sim/SRCs/exciting/tools/ase/tools' 'SELINUX_INIT=YES' 'MIC_LD_LIBRARY_PATH=/opt/intel2016/compilers_and_libraries_2016.2.181/linux/compiler/lib/mic:/opt/intel2016/compilers_and_libraries_2016.2.181/linux/mpi/mic/lib:/opt/intel2016/compilers_and_libraries_2016.2.181/linux/tbb/lib/mic:/opt/intel2016/compilers_and_libraries_2016.2.181/linux/compiler/lib/mic:/opt/intel2016/compilers_and_libraries_2016.2.181/linux/mkl/lib/mic' 'GDM_LANG=en_US' 'PAPERSIZE=letter' 'LC_ADDRESS=en_US.UTF-8' 'XDG_SESSION_PATH=/org/freedesktop/DisplayManager/Session0' 'XDG_RUNTIME_DIR=/run/user/1000' 'LC_TELEPHONE=en_US.UTF-8' 'ATATROOT=/home/sim/SRCs/exciting/tools/atat' 'LANG=en_US.UTF-8' 'XDG_CURRENT_DESKTOP=Unity' '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:' 'XMODIFIERS=@im=fcitx' 'XAUTHORITY=/home/sim/.Xauthority' 'XDG_GREETER_DATA_DIR=/var/lib/lightdm-data/sim' 'SSH_AUTH_SOCK=/run/user/1000/keyring-EToofq/ssh' 'SHELL=/bin/bash' 'GSL_CONFIG=/opt/gsl/bin/gsl-config' 'LC_NAME=en_US.UTF-8' 'casteppot=/home/sim/Accelrys/MaterialsStudio7.0/share/Resources/Quantum/Castep/Potentials/' 'GDMSESSION=gnome-fallback' 'MKLROOT=/opt/intel2016/compilers_and_libraries_2016.2.181/linux/mkl' 'LESSCLOSE=/usr/bin/lesspipe %s %s' 'EXCITINGVISUAL=/home/sim/SRCs/exciting/xml/visualizationtemplates' 'EXCITINGRUNDIR=' 'LC_MEASUREMENT=en_US.UTF-8' 'UPSTART_EVENTS=started starting' 'I_MPI_MPIRUN=mpirun' 'GPG_AGENT_INFO=/run/user/1000/keyring-EToofq/gpg:0:1' 'UPSTART_SESSION=unix:abstract=/com/ubuntu/upstart-session/1000/4165' 'NLSPATH=/opt/intel2016/compilers_and_libraries_2016.2.181/linux/compiler/lib/intel64/locale/%l_%t/%N:/opt/intel2016/compilers_and_libraries_2016.2.181/linux/mkl/lib/intel64/locale/%l_%t/%N:/opt/intel2016/debugger_2016/gdb/intel64_mic/share/locale/%l_%t/%N:/opt/intel2016/debugger_2016/gdb/intel64/share/locale/%l_%t/%N' 'LC_IDENTIFICATION=en_US.UTF-8' 'I_MPI_DEBUG=5' 'TEXTDOMAINDIR=/usr/share/locale/' 'XDG_VTNR=7' 'QT_IM_MODULE=xim' 'PWD=/home/sim/test' 'CLUTTER_IM_MODULE=xim' 'XDG_CONFIG_DIRS=/etc/xdg/xdg-gnome-fallback:/usr/share/upstart/xdg:/etc/xdg' 'I_MPI_HYDRA_DEBUG=1' 'XDG_DATA_DIRS=/usr/share/gnome-fallback:/usr/share/gnome:/usr/local/share/:/usr/share/' 'LC_NUMERIC=en_US.UTF-8' 'PHI_DGEMM_SPLIT=0.975' 'PYTHONPATH=/home/sim/codes/pypackage:/home/sim/SRCs/lammps-10Aug15/python:/home/sim/SRCs/phonopy-1.10.0/lib/python:/home/sim/SRCs/phono3py-0.9.14/lib/python:/home/sim/SRCs/exciting/tools/ase' 'I_MPI_ROOT=/opt/intel2016/compilers_and_libraries_2016.2.181/linux/mpi' 'LC_PAPER=en_US.UTF-8' 'CPATH=/opt/intel2016/compilers_and_libraries_2016.2.181/linux/mkl/include' 'GDB_CROSS=/opt/intel2016/debugger_2016/gdb/intel64_mic/bin/gdb-mic' 'EXCITINGSCRIPTS=/home/sim/SRCs/exciting/tools' 'MANPATH=/opt/intel2016/man/common:/opt/intel2016/compilers_and_libraries_2016.2.181/linux/mpi/man:/opt/intel2016/compilers_and_libraries_2016.2.181/linux/man/en_US:/opt/intel2016/documentation_2016/en/debugger//gdb-ia/man/:/opt/intel2016/documentation_2016/en/debugger//gdb-mic/man/:/opt/intel2016/documentation_2016/en/debugger//gdb-igfx/man/:/usr/local/man:/usr/local/share/man:/usr/share/man:' 'VTE_VERSION=3409' 'TIMEFORMAT= Elapsed time = %0lR' 'JOB=gnome-session' 'ElaSticROOT=/home/sim/codes/ElaStic' --global-user-env 0 --global-system-env 5 'MPIR_CVAR_NEMESIS_ENABLE_CKPOINT=1' 'GFORTRAN_UNBUFFERED_PRECONNECTED=y' 'I_MPI_HYDRA_UUID=95140000-cdcf-40de-be2d-050000017f00' 'IPATH_NO_BACKTRACE=1' 'DAPL_NETWORK_PROCESS_NUM=2' --proxy-core-count 4 --mpi-cmd-env mpirun -np 2 /home/sim/test/espresso-5.0.3/bin/pw.x --exec --exec-appnum 0 --exec-proc-count 2 --exec-local-env 0 --exec-wdir /home/sim/test --exec-args 1 /home/sim/test/espresso-5.0.3/bin/pw.x [mpiexec@simbox] Launch arguments: /opt/intel2016/compilers_and_libraries_2016.2.181/linux/mpi/intel64/bin/pmi_proxy --control-port simbox:51726 --debug --pmi-connect lazy-cache --pmi-aggregate -s 0 --rmk user --launcher ssh --demux poll --pgid 0 --enable-stdin 1 --retries 10 --control-code 1565798673 --usize -2 --proxy-id 0 [mpiexec@simbox] STDIN will be redirected to 1 fd(s): 11 [proxy:0:0@simbox] Start PMI_proxy 0 [proxy:0:0@simbox] STDIN will be redirected to 1 fd(s): 17 [proxy:0:0@simbox] got pmi command (from 12): init pmi_version=1 pmi_subversion=1 [proxy:0:0@simbox] PMI response: cmd=response_to_init pmi_version=1 pmi_subversion=1 rc=0 [proxy:0:0@simbox] got pmi command (from 12): get_maxes [proxy:0:0@simbox] PMI response: cmd=maxes kvsname_max=256 keylen_max=64 vallen_max=1024 [proxy:0:0@simbox] got pmi command (from 12): barrier_in [proxy:0:0@simbox] got pmi command (from 14): init pmi_version=1 pmi_subversion=1 [proxy:0:0@simbox] PMI response: cmd=response_to_init pmi_version=1 pmi_subversion=1 rc=0 [proxy:0:0@simbox] got pmi command (from 14): get_maxes [proxy:0:0@simbox] PMI response: cmd=maxes kvsname_max=256 keylen_max=64 vallen_max=1024 [proxy:0:0@simbox] got pmi command (from 14): barrier_in [proxy:0:0@simbox] forwarding command (cmd=barrier_in) upstream [mpiexec@simbox] [pgid: 0] got PMI command: cmd=barrier_in [mpiexec@simbox] PMI response to fd 8 pid 14: cmd=barrier_out [proxy:0:0@simbox] PMI response: cmd=barrier_out [proxy:0:0@simbox] PMI response: cmd=barrier_out [proxy:0:0@simbox] got pmi command (from 12): get_ranks2hosts [proxy:0:0@simbox] PMI response: put_ranks2hosts 16 1 6 simbox 0,1, [proxy:0:0@simbox] got pmi command (from 14): get_ranks2hosts [proxy:0:0@simbox] PMI response: put_ranks2hosts 16 1 6 simbox 0,1, [proxy:0:0@simbox] got pmi command (from 12): get_appnum [proxy:0:0@simbox] PMI response: cmd=appnum appnum=0 [proxy:0:0@simbox] got pmi command (from 14): get_appnum [proxy:0:0@simbox] PMI response: cmd=appnum appnum=0 [proxy:0:0@simbox] got pmi command (from 12): get_my_kvsname [proxy:0:0@simbox] PMI response: cmd=my_kvsname kvsname=kvs_5269_0 [proxy:0:0@simbox] got pmi command (from 14): get_my_kvsname [proxy:0:0@simbox] PMI response: cmd=my_kvsname kvsname=kvs_5269_0 [proxy:0:0@simbox] got pmi command (from 12): get_my_kvsname [proxy:0:0@simbox] PMI response: cmd=my_kvsname kvsname=kvs_5269_0 [proxy:0:0@simbox] got pmi command (from 14): get_my_kvsname [proxy:0:0@simbox] PMI response: cmd=my_kvsname kvsname=kvs_5269_0 [0] MPI startup(): Multi-threaded optimized library [proxy:0:0@simbox] got pmi command (from 14): barrier_in [proxy:0:0@simbox] got pmi command (from 12): put kvsname=kvs_5269_0 key=sharedFilename[0] value=/dev/shm/Intel_MPI_HU0R0Z [proxy:0:0@simbox] forwarding command (cmd=put kvsname=kvs_5269_0 key=sharedFilename[0] value=/dev/shm/Intel_MPI_HU0R0Z) upstream [mpiexec@simbox] [pgid: 0] got PMI command: cmd=put kvsname=kvs_5269_0 key=sharedFilename[0] value=/dev/shm/Intel_MPI_HU0R0Z [mpiexec@simbox] PMI response to fd 8 pid 12: cmd=put_result rc=0 msg=success [proxy:0:0@simbox] we don't understand the response put_result; forwarding downstream [proxy:0:0@simbox] got pmi command (from 12): barrier_in [proxy:0:0@simbox] forwarding command (cmd=barrier_in) upstream [mpiexec@simbox] [pgid: 0] got PMI command: cmd=barrier_in [mpiexec@simbox] PMI response to fd 8 pid 12: cmd=barrier_out [proxy:0:0@simbox] PMI response: cmd=barrier_out [proxy:0:0@simbox] PMI response: cmd=barrier_out [proxy:0:0@simbox] got pmi command (from 14): get kvsname=kvs_5269_0 key=sharedFilename[0] [proxy:0:0@simbox] PMI response: cmd=get_result rc=0 msg=success value=/dev/shm/Intel_MPI_HU0R0Z [0] MPI startup(): shm data transfer mode [1] MPI startup(): shm data transfer mode [proxy:0:0@simbox] got pmi command (from 12): put kvsname=kvs_5269_0 key=P0-businesscard-0 value=fabrics_list#shm$ [proxy:0:0@simbox] got pmi command (from 14): put kvsname=kvs_5269_0 key=P1-businesscard-0 value=fabrics_list#shm$ [mpiexec@simbox] [pgid: 0] got aggregated PMI command (part of it): cmd=put kvsname=kvs_5269_0 key=P0-businesscard-0 value=fabrics_list#shm$ [mpiexec@simbox] reply: cmd=put_result rc=0 msg=success [mpiexec@simbox] [pgid: 0] got aggregated PMI command (part of it): cmd=put kvsname=kvs_5269_0 key=P1-businesscard-0 value=fabrics_list#shm$ [mpiexec@simbox] reply: cmd=put_result rc=0 msg=success [proxy:0:0@simbox] got pmi command (from 12): barrier_in [proxy:0:0@simbox] got pmi command (from 14): barrier_in [proxy:0:0@simbox] forwarding command (cmd=barrier_in) upstream [mpiexec@simbox] [pgid: 0] got PMI command: cmd=barrier_in [mpiexec@simbox] PMI response to fd 8 pid 14: cmd=barrier_out [proxy:0:0@simbox] PMI response: cmd=barrier_out [proxy:0:0@simbox] PMI response: cmd=barrier_out [0] MPI startup(): Rank Pid Node name Pin cpu [0] MPI startup(): 0 5274 simbox {0,1} [0] MPI startup(): 1 5275 simbox {2,3} [0] MPI startup(): I_MPI_DEBUG=5 [0] MPI startup(): I_MPI_INFO_NUMA_NODE_DIST=10 [0] MPI startup(): I_MPI_INFO_NUMA_NODE_NUM=1 [0] MPI startup(): I_MPI_PIN_MAPPING=2:0 0,1 2 Program PWSCF v.5.0.2 (svn rev. 9656) starts on 11Mar2016 at 13: 4:39 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote.php Parallel version (MPI), running on 2 processors R & G space division: proc/nbgrp/npool/nimage = 2 Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Waiting for input... Reading input from standard input [mpiexec@simbox] Sending Ctrl-C to processes as requested [mpiexec@simbox] Press Ctrl-C again to force abort