[gmx-users] Re: Using mpirun on CentOS 6.0

[bharat gupta]

Hi,

I am getting the following error while using the command -

[root at localhost INGT]# mpirun -np 24 mdrun_mpi -v -deffnm npt

Error -

/usr/bin/mpdroot: open failed for root's mpd conf
filempiexec_localhost.localdomain (__init__ 1208): forked process failed;
status=255

I complied gromacs using - ./configure --enable-shared --enable-mpi. I have
installed the mpich package , this is what I get when I check for mpirun
and mpiexec -

[root at localhost /]# which mpirun
/usr/bin/mpirun
[root at localhost /]# which mpiexec
/usr/bin/mpiexec

What could be the problem here ??

Thanks
--------
Bharat