[gmx-users] GROMACS in parallel
Mark.Abraham at anu.edu.au
Wed Jun 14 22:49:17 CEST 2006
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
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