[gmx-users] Parallel Installation of gromacs

[Mark Abraham]

Mahendran E wrote:
> 
> Hi All,
> 
>   I am Mahendran, I am new to gromacs, I have installed fftw-3.2.2 , 
> gromacs-4.0.5 and mpich-1.2.6 in a cluster head node.
> 
> 
>  fftw-3.2.2
>   ./configure
>    make
>    make install
> 
> 
>  Gromacs
>  ./configure --enable-mpi -diable-nice
>   make mdrun
>   make install-mdrun
> 
>  the above steps have been done.

No they haven't. The GROMACS configure line should probably have not 
worked because of the typo. Please don't retype things from your 
terminal to emails, or webpage to terminal, or such. Computers are 
literal, and so do you need to be. Copy and paste is your friend - don't 
filter stuff through your brain and fingers!

Further, the default for FFTW is to install double precision and the 
default for GROMACS is to install single precision, so your new FFTW 
library is not being used by GROMACS.

Please follow Justin's advice and follow an installation guide precisely.

Mark

>  I want to know whether the above  steps are correct or not.
> 
>  help me in this regard
> 
>  thanks in advance
> 
> -- 
> Regards
> 
> Mahendran. E
> 
> 
> 
> 
> 
> 
> -- 
> Regards
> 
> Mahendran. E
> 
> 
>