[gmx-users] GROMACS in parallel

[Mark Abraham]

Akshay Patny wrote:
> Dear Sir
> 
>  
> 
> I am trying to install GROMACS. I have tried to install program and it 
> goes through okay. However, when I try to compile the program in 
> parallel using the –enable-mpi option, it gives me an error: “Cannot 
> compile and link MPI code with cc”
> 
>  
> 
> See below for the command and the error.
> 
>  
> 
> Can you suggest what I can do to fix the same?

Use an MPI compiler. Find out what it is called on your system and take 
steps to use it - see ./configure --help for some options that can help 
here.

Mark