[gmx-users] gromacs synaptic package manager

[Roland Schulz]

Hi,

either install as root by running:
sudo make install

or rerun the installation steps with
./configure --prefix=$HOME/usr
to install it in your home directory.

Roland

2010/10/1 ahmet yıldırım <ahmedo047 at gmail.com>

> Dear justin,
>
> Thanks for your reply. I did that you said. I tried to install Gromacs
> 4.5.1but I failed it. I enter this line " ab at ab-desktop:~/Masaüstü/gromacs-4.5.1
> make install " in terminal. What can I do? I am sorry. I am a new user.
>
> Thanks in advance
>
> 1. I installed fftw 3.2.2
> ab at ab-desktop:~/Masaüstü/ cd fftw-3.2.2
> ab at ab-desktop:~/Masaüstü/fftw-3.2.2
> ab at ab-desktop:~/Masaüstü/fftw-3.2.2  ./configure --enable-threads
> --enable-float
> ab at ab-desktop:~/Masaüstü/fftw-3.2.2 make
> ab at ab-desktop:~/Masaüstü/fftw-3.2.2 make install
>
> 2. I tried to install Gromacs 4.5.1
> ab at ab-desktop:~/Masaüstü/ cd gromacs-4.5.1
> ab at ab-desktop:~/Masaüstü/gromacs-4.5.1
> ab at ab-desktop:~/Masaüstü/gromacs-4.5.1 ./configure
> ab at ab-desktop:~/Masaüstü/gromacs-4.5.1 make
> ab at ab-desktop:~/Masaüstü/gromacs-4.5.1 make install
> Making install in include
> make[1]: Entering directory `/home/ab/Masaüstü/gromacs-4.5.1/include'
> Making install in .
> make[2]: Entering directory `/home/ab/Masaüstü/gromacs-4.5.1/include'
> make[3]: Entering directory `/home/ab/Masaüstü/gromacs-4.5.1/include'
> make[3]: Nothing to be done for `install-exec-am'.
> test -z "/usr/local/gromacs/include/gromacs" || /bin/mkdir -p
> "/usr/local/gromacs/include/gromacs"
> /bin/mkdir: cannot create directory `/usr/local/gromacs': Permission denied
> make[3]: *** [install-pkgincludeHEADERS] Error 1
> make[3]: Leaving directory `/home/ab/Masaüstü/gromacs-4.5.1/include'
> make[2]: *** [install-am] Error 2
> make[2]: Leaving directory `/home/ab/Masaüstü/gromacs-4.5.1/include'
> make[1]: *** [install-recursive] Error 1
> make[1]: Leaving directory `/home/ab/Masaüstü/gromacs-4.5.1/include'
> make: *** [install-recursive] Error 1
>
>
>
> 2010/10/1 Justin A. Lemkul <jalemkul at vt.edu>
>
>
>>
>> ahmet yıldırım wrote:
>>
>>> Hi,
>>>
>>> I've installed GROMACS 4.0.3 and MPI libraries using Ubuntu 9.04 Synaptic
>>> Package Manager. What else should I do?
>>> I want to run a simulation in parallel on a single PC. Which commands
>>> should I enter the terminal?
>>>
>>>
>> If I were you, I would uninstall this version (which is outdated by nearly
>> 2 years!) and get version 4.5.1.  Installing from source is quite easy.  Not
>> only will you benefit from hundreds of bug fixes and enhancements, but
>> running in parallel on a multi-core machine is no longer MPI-dependent,
>> making it somewhat easier.
>>
>> For usage and instructions, see the manual and any of the numerous
>> tutorials linked here:
>>
>> http://www.gromacs.org/Documentation/Tutorials#General
>>
>> -Justin
>>
>>
>>  Thanks a lot for any instruction.
>>>
>>>
>>>
>> --
>> ========================================
>>
>> Justin A. Lemkul
>> Ph.D. Candidate
>> ICTAS Doctoral Scholar
>> MILES-IGERT Trainee
>> Department of Biochemistry
>> Virginia Tech
>> Blacksburg, VA
>> jalemkul[at]vt.edu | (540) 231-9080
>> http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
>>
>> ========================================
>> --
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>
>
>
> --
> Ahmet YILDIRIM
>
> --
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