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.
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