[gmx-users] installation of gromacs as parallel in a system without access to root

[Mark Abraham]

Hi,

You didn't ask cmake to install to the non-root-privileges location you
wanted. See
http://manual.gromacs.org/documentation/5.1.1/install-guide/index.html#where-to-install-gromacs

Mark

On Mon, Jun 13, 2016 at 8:33 AM Atila Petrosian <atila.petrosian at gmail.com>
wrote:

> Dear Gromacs users,
>
> I want to install gromacs as parallel in a system
> without access to root, in a place other than /usr/local.
>
> My system is Rocks 6.2 with 3.4.1 version of cmake.
>
> I created a directory (installation) to install
> gromacs there and I used following commands:
>
>
> tar xvzf fftw-3.3.4.tar.gz
> tar xvzf gromacs-5.1.1.tar.gz
>
> export SOFT=$HOME/installation
> export CPPFLAGS="-I$SOFT/include"
> export LDFLAGS="-L$SOFT/lib"
> export PATH="$PATH":$SOFT/bin
>
>
> cd ../fftw-3.3.4
> cmake
> make install
>
>
> cd ../cmake-3.2.2.
> ./configure --prefix=$SOFT --enable-float
> make
> make install
>
>
> cd ../gromacs-5.1.1
> mkdir build
> cd build
> cmake .. -DGMX_BUILD_OWN_FFTW=ON -DREGRESSIONTEST_DOWNLOAD=ON -DGMX_MPI=ON
> make
> make check
> make install
>
> After using " make install ", because I don't access to root, I can't
> continue installation.
>
> Please guide me to resolve this problem.
> --
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