Hello Masoud, Thank you for the information.
I did try it but it didn't really work as expected. ( still giving me Errors) Thank you Kind Regards, Elliot. On 12/28/2013 08:35 AM, Masoud Nahali wrote: > Elliot wrote: > > Hello, > Can someone please help me incorporate my prepared job to be ran on a > cluster into the script(run_example) that is used to ran Quantum > Espresso calculations on a cluster. I'm working with a 128 core > cluster and I would like to use 8 cores. > > > > a short reply: > > your input: > outdir = '/path/to/your/folder/tmp/' > pseudo_dir = '/path/to/pseudo/' > > a command to run pw.x in parallel (without the script): > > /path/to/openmpi/bin/mpirun -np 8 /path/to/Quantum-Espresso/bin/pw.x > <your-input.in <http://your-input.in> > your-output.out > Also you can set yourenvironment_variables to run the examples using the > script. In this case you should revise the following line to run the examples > in parallel. > PARA_PREFIX="/path/to/openmpi/bin/mpirun -np 8" > > > ps* > if you have already defined your paths in the .bashrc you won't need to write > "/path/to/..." in above lines. > > > > Best Wishes, m > > > > > > ---------------------------------------- > Masoud Nahali > SUT > masoud.nahali at gmail.com <mailto:masoud.nahali at gmail.com> > alum.sharif.edu/~m_nahali <http://alum.sharif.edu/%7Em_nahali> > > > > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum -- Elliot S. Menkah Research Student - Computational Chemistry/ Computational Material Science Theoretical and Computational Chemistry Dept. of Chemistry Kwame Nkrumah UNiversity of Sci. and Tech. Kumasi Ghana Tel: +233 243-055-717 Alt Email: elliotsmenkah at gmail.com elliotsmenkah at hotmail.com -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20131230/f300803f/attachment.html
