[gmx-users] error in parallel with network

[Erik Lindahl]

mojtaba alaei wrote:
> Dear All
> 
> I follow the example in site 
> http://www.lam-mpi.org/tutorials/one-step/lam.php
> and run the same commands on my network (with my IPs)
> every commands were done correctly without any error but when I checked 
> mdrun,I saw that only my master computer had run the mdrun.
> 

Hi,

Did you:

1. Check that you can execute a normal command on all hosts, like

    lamexec /bin/hostname


    and make sure you get the hostname from each machine on stdout.


2. Compile (or install the rpms) Gromacs and FFTW with MPI support

3. Run the mdrun command as (for two cpus)

    mpirun -np 2  /path/to/mdrun [normal options]



Cheers,

Erik