Dear gromacs users,
export SOFT=$HOME/installation export CPPFLAGS="-I$SOFT/include" export LDFLAGS="-L$SOFT/lib" export PATH="$PATH":$SOFT/bin tar xvf cmake-3.6.1.tar.gz cd ../cmake-3.6.1. ./configure --prefix=$SOFT make make install tar xvzf gromacs-5.1.3.tar.gz cd ../gromacs-5.1.3 mkdir build cd build cmake .. -DGMX_BUILD_OWN_FFTW=ON -DREGRESSIONTEST_DOWNLOAD=ON -DGMX_MPI=ON -DGMX_GPU=ON -DCMAKE_INSTALL_PRIFFIX=$SOFT make make check make install source /home/linux/installation/gromacs/bin/GMXRC *** The GMXRC file is as follows: # This is a convenience script to determine which # type of shell you have, and then run GMXRC.[csh|bash|zsh] # from the Gromacs binary directory. # If you only use one shell you can copy that GMXRC.* instead. # only csh/tcsh set the variable $shell (note: lower case!) # but check for the contents to be sure, since some environments may # set it also for other shells echo $shell | grep -q csh && goto CSH # if we got here, shell is bsh/bash/zsh/ksh . /home/linux/installation/gromacs/bin/GMXRC.bash return # csh/tcsh jump here CSH: source /home/linux/installation/gromacs/bin/GMXRC.csh ~ ~ ~ ~ ~ "GMXRC" 18L, 594C I use following commands: source /home/linux/installation/gromacs/bin/GMXRC gmx_mpi But, I encountered with: bash: /home/linux/installation/gromacs/bin/gmx_mpi: cannot execute binary file In /home/linux/installation/gromacs/bin, I checked executablity of gmx_mpi file: -rwxr-xr-x 1 linux linux 3378 2016-07-13 05:56 demux.pl* -rwxr-xr-x 1 linux linux 149700 2016-07-14 16:12 gmx-completion.bash* -rwxr-xr-x 1 linux linux 41 2016-09-04 04:44 gmx-completion-gmx_mpi.bash* -rwxr-xr-x 1 linux linux 275213 2016-09-04 04:44 gmx_mpi* -rwxr-xr-x 1 linux linux 594 2016-11-29 03:42 GMXRC* -rwxr-xr-x 1 linux linux 2758 2016-11-29 03:43 GMXRC.bash* -rwxr-xr-x 1 linux linux 2995 2016-09-04 02:53 GMXRC.csh* -rwxr-xr-x 1 linux linux 118 2016-09-04 02:53 GMXRC.zsh* -rwxr-xr-x 1 linux linux 8217 2016-07-13 05:56 xplor2gmx.pl* I used chmod 777 *.*. After that -rwxrwxrwx 1 linux linux 3378 2016-07-13 05:56 demux.pl* -rwxrwxrwx 1 linux linux 149700 2016-07-14 16:12 gmx-completion.bash* -rwxrwxrwx 1 linux linux 41 2016-09-04 04:44 gmx-completion-gmx_mpi.bash* -rwxrwxrwx 1 linux linux 275213 2016-09-04 04:44 gmx_mpi* -rwxr-xr-x 1 linux linux 594 2016-11-29 03:42 GMXRC* -rwxrwxrwx 1 linux linux 2758 2016-11-29 03:43 GMXRC.bash* -rwxrwxrwx 1 linux linux 2995 2016-09-04 02:53 GMXRC.csh* -rwxrwxrwx 1 linux linux 118 2016-09-04 02:53 GMXRC.zsh* -rwxrwxrwx 1 linux linux 8217 2016-07-13 05:56 xplor2gmx.pl* After using the following commands: source /home/linux/installation/gromacs/bin/GMXRC gmx_mpi Again, I encountered with: bash: /home/linux/installation/gromacs/bin/gmx_mpi: cannot execute binary file Any help will be highly appreciated. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
