[gmx-users] How to check whether GROMACS was installed correctly?

[Tsjerk Wassenaar]

Vladimir,

The default "--prefix" is /usr/local. You're not allowed to write
there as user, that's why that failed. So it did succeed as root; root
is allowed to write there. I suggest installing as user, with
./configure --prefix=/home/vladimir/gmx331 and whatever other options
you need. Check ./configure --help

Cheers,

Tsjerk

On 1/16/07, Vladimir Korostelev <vladimir.v.korostelev at rambler.ru> wrote:
> * Mark Abraham <Mark.Abraham at anu.edu.au> [Tue, 16 Jan 2007 20:43:56
> +1100]:
>
> > Until you know what you're doing, I suggest following the
> installation
> > instructions on the gromacs web page precisely.
> >
>
> I think I did! it was done in 3 simple steps:
>
> $./configure
> $make
> $make install
>
> after installation of fftw.
>
> > > There were no error messages during installation but when it was
> done
> > I
> > > typed:
> > >
> > > $./luck
> >
> > Well that will work only if there is a l"luck"  program in the current
> > directory. I bet there wasn't :-)
>
> yes, there is no luck only GROMACS in winter. ;)
>
> > > I had logged in as a root and installed into my user directory
> > > /home/vladimir
> > > fftw2.15, then I had installed gromacs3.3.1 into
> > > /home/vladimir/gromacs-3.3.1
> > > However I cannot find where is bin subdirectory? it's not in
> > > /home/vladimir/gromacs-3.3.1,
> >
> > What is the point of logging in as root to install things in your user
> > space?
>
> I did this after installation by user had failed - there were messages:
> Permission denied
> during compilation. But installation into user space after logging in as
> a root went without
> errors. So I think it should be installed. Where a bin subdirectory
> should be?
>
> Cheers
>
> Vladimir
>
>
>
> --
> Рамблер поздравляет с Новым годом! http://www.2007.rambler.ru/
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-- 
Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
Utrecht University
Padualaan 8
3584 CH Utrecht
The Netherlands
P: +31-30-2539931
F: +31-30-2537623