On Sat, 26 Nov 2005, Sergey Lisenkov wrote: SL> SL> Dear PWscf authors, SL>
hi sergey, SL> I am wondering does k-point parallelization work very well on any SL> platform? I have noticed that on our cluster (IBM Blade PPC970 - SL> power4+) PW code works slowly with k-point parallelization in SL> respect to without k-point parallelization. Does it depend on the SL> platform? you have to make sure, that you have a fast and preferably local scratch area available and use it. if you are using a networked scratch, your i/o load with increase immensely, since each k-point 'pool' will write to the scratch concurrently. on a networked scratch, especially over gigabit ethernet, this will kill the performance. axel. p.s.: any news on the ru-potentials? SL> SL> Thanks, SL> Sergey SL> _______________________________________________ SL> Pw_forum mailing list SL> Pw_forum at pwscf.org SL> http://www.democritos.it/mailman/listinfo/pw_forum SL> -- ======================================================================= Axel Kohlmeyer akohlmey at cmm.chem.upenn.edu http://www.cmm.upenn.edu Center for Molecular Modeling -- University of Pennsylvania Department of Chemistry, 231 S.34th Street, Philadelphia, PA 19104-6323 tel: 1-215-898-1582, fax: 1-215-573-6233, office-tel: 1-215-898-5425 ======================================================================= If you make something idiot-proof, the universe creates a better idiot.
