I don't know much about mpi , as I am using gromacs which was complied with mpi option. , But I read somewhere that

 " If a file named .mpd.conf is available in the user's home directory, only the user can have read and write privileges. The file must minimally contain a line with secretword=<secretword>. If you want to run MPD as root, create the mpd.conf file in the /etc directory instead of .mpd.conf in the root's home directory to run mpd as root. Avoid starting the MPD ring under the root account." Here'e the link http://software.intel.com/sites/products/documentation/hpc/ics/impi/41/lin/Reference_Manual/Multipurpose_Daemon_Commands.htm

And after using chmod 700 , I still get the same error, but when I create a file mpd.conf in /etc I get the and added the secretword=<secretword> line in the file and run the same command, I get this error:- 

root@localhost INGT]# mpirun -np 24 mdrun -v -deffnm mdrun
mpdroot: perror msg: No such file or directory
mpdroot: cannot connect to local mpd at: /tmp/mpd2.console_root
    probable cause:  no mpd daemon on this machine
    possible cause:  unix socket /tmp/mpd2.console_root has been removed

mpiexec_localhost.localdomain (__init__ 1208): forked process failed; status=255

On Thu, Nov 7, 2013 at 9:11 AM, Ricardo Román Brenes <roman.ricardo@gmail.com> wrote:

Try using chmod 700.  Can you run any other mpi example? Like cpi.c

On Nov 6, 2013 6:08 PM, "bharat gupta" <bharat.85.monu@gmail.com> wrote:

It have changed the file permission (rw) for root , ls -l mpd.hosts gives the output 

-rw-r--r--, 1 root root 

On Thu, Nov 7, 2013 at 9:02 AM, Ricardo Román Brenes <roman.ricardo@gmail.com> wrote:

With rwx permission just for root?

On Nov 6, 2013 6:00 PM, "bharat gupta" <bharat.85.monu@gmail.com> wrote:

I have created the file mpd.hosts in /etc folder in the root , but still it shows the same error ... /usr/bin/mpdroot: open failed for root's mpd conf filempiexec_localhost.localdomain (__init__ 1208): forked process failed; status=255

On Thu, Nov 7, 2013 at 8:45 AM, Ricardo Román Brenes <roman.ricardo@gmail.com> wrote:

You need to create a mpd.hosts in /etc if you want to run mpd as root

On Nov 6, 2013 5:41 PM, "bharat gupta" <bharat.85.monu@gmail.com> wrote:

Hi,

I am getting the following error while using the command - 

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

What could be the problem here ??

Thanks

-------- 
Bharat

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--
Bharat
Ph.D. Candidate
Biomolecular Engineering Laboratory
Pusan National University
South Korea
Mobile no. - 010-5818-3680

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--
Bharat
Ph.D. Candidate
Biomolecular Engineering Laboratory
Pusan National University
South Korea
Mobile no. - 010-5818-3680

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--
Bharat
Ph.D. Candidate
Biomolecular Engineering Laboratory
Pusan National University
South Korea
Mobile no. - 010-5818-3680