Re: [OMPI users] Error when attempting to run LAMMPS on Centos 6.2 with OpenMPI

2013-01-25 Thread Ralph Castain
No earthly idea, I'm afraid - you might check "which mpirun" to ensure you are indeed running the one you think. You might also try installing OMPI from scratch yourself (into a directory under your home) so you can ensure it actually is built to match your system. You could then verify the resu

Re: [OMPI users] Error when attempting to run LAMMPS on Centos 6.2 with OpenMPI

2013-01-25 Thread #YEO JINGJIE#
Does not seem to work. I did export PATH=/usr/local/openmpi/bin:$PATH export LD_LIBRARY_PATH=/usr/local/openmpi/lib:$LD_LIBRARY_PATH echo $PATH /usr/lib64/openmpi/bin:/usr/local/sbin:/usr/local/bin:/sbin:/bin:/usr/sbin:/usr/bin:/root/bin: echo $LD_LIBRARY_PATH /usr/lib64/openmpi/lib: But

Re: [OMPI users] Error when attempting to run LAMMPS on Centos 6.2 with OpenMPI

2013-01-25 Thread Ralph Castain
Okay - that's why I don't like package installs... Still, it should work. One thing I don't like is that you have /usr/lib64/openmpi/bin at the end of your PATH - that's a bad idea. Most OS's come with a preinstalled version, usually something really old, so you want the desired version of OMPI

Re: [OMPI users] Error when attempting to run LAMMPS on Centos 6.2 with OpenMPI

2013-01-25 Thread #YEO JINGJIE#
Ok this was what I got: which srun /usr/bin/which: no srun in (/usr/local/sbin:/usr/local/bin:/sbin:/bin:/usr/sbin:/usr/bin:/root/bin:/usr/lib64/openmpi/bin:) ls -R /usr/lib64/openmpi /usr/lib64/openmpi: bin lib share /usr/lib64/openmpi/bin: mpic++ mpif90 opal_wrapper

Re: [OMPI users] Error when attempting to run LAMMPS on Centos 6.2 with OpenMPI

2013-01-25 Thread Ralph Castain
Hmmm...looks like it was built with Slurm support - is your cluster running Slurm? Do you see an "srun" command - e.g., if you do "which srun", what do you get? You should also do an "ls -R /usr/lib64/openmpi" and see what modules were installed. Send that along and let's see why it didn't find

Re: [OMPI users] Error when attempting to run LAMMPS on Centos 6.2 with OpenMPI

2013-01-25 Thread #YEO JINGJIE#
Yes sir here it is: Package: Open MPI mockbu...@c6b8.bsys.dev.centos.org Distribution Open MPI: 1.5.4 Open MPI SVN revision: r25060 Open MPI release date: Aug 18, 2011 Ope

Re: [OMPI users] Error when attempting to run LAMMPS on Centos 6.2 with OpenMPI

2013-01-25 Thread Ralph Castain
Groan - I hate these bundled installs :-( If you do "ompi_info", what does it tell you? Could you please send it along? Thanks On Jan 25, 2013, at 5:51 PM, #YEO JINGJIE# wrote: > I tried to follow the installation instructions over here: > > http://amusecode.org/doc/install/install-prerequis

Re: [OMPI users] Error when attempting to run LAMMPS on Centos 6.2 with OpenMPI

2013-01-25 Thread #YEO JINGJIE#
I tried to follow the installation instructions over here: http://amusecode.org/doc/install/install-prerequisites-redhat.html And I am using bash and yum. Regards, Jingjie Yeo Ph.D. Student School of Mechanical and Aerospace Engineering Nanyang Technological University, Singapore

Re: [OMPI users] problem with rankfile in openmpi-1.6.4rc2

2013-01-25 Thread Ralph Castain
Found it! A trivial error (missing a break in a switch statement) that only impacts things if multiple sockets are specified in the slot_list. CMR filed to include the fix in 1.6.4 Thanks for your patience Ralph On Jan 24, 2013, at 7:50 PM, Ralph Castain wrote: > I built the current 1.6 branc