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

[Mark Abraham]

Vladimir Korostelev wrote:
> Hello
> 
> I have installed GROMACS 3.3.1 for the first time and want to check 
> whether it was done
> correct or not.

Until you know what you're doing, I suggest following the  installation 
instructions on the gromacs web page precisely.

> 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 :-)

Further, you'd need to update your PATH variable to reflect the 
binaries' location... see the above instructions.

> there was error message something like 'Command not found'
> 
> Maybe installation was wrong anyway and something is missing?
> 
> 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? If you really want to install things in your user space, then you 
need to take a close look at the flags to "configure"... in particular, 
the use of the install prefix. First, I'd suggest doing a normal install 
as root to the default location and get that working before you try to 
do anything fancy.

Mark