Hi there,
I'm curious about these "PMEMD ewald parallel performance parameters" since
I found pmemd assigns them differently with different computing facilities
(exactly the same system, i.e. MD run starts with the same .restrt file).
With 8*16=128 CPUs, I have them as:
| block_fft = 1
| fft_blk_y_divisor = 4
| excl_recip = 1
| excl_master = 1
| atm_redist_freq = 32
In another run with 48 CPUs + 12 GPUs, I have:
| block_fft = 0
| fft_blk_y_divisor = 4
| excl_recip = 0
| excl_master = 0
| atm_redist_freq = 320
So I really wonder what these parameters mean as cannot access the "README
under pmemd/src" for some reason.
Best,
Yun
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Received on Tue Nov 19 2013 - 09:00:03 PST
