speed of new cp2k

lml... at gmail.com lml... at gmail.com
Thu Jan 17 15:47:36 UTC 2008


It seems that the speed of cp2k becomes a little lowly (about 5%)
instead of speeding up after Jan. 10 for the new 'integrate and
collocate routines'.  Is this general? Do I need set new parameter for
the 'distributed realspace grids' part compared with the old one?
I test on the XT4 with PGI 7 using 32 water using 32 CPUs.


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