A new A3 SMP project recently emerged in beta testing - P7500 - where people running -smp 7 were unable to fold said unit. Dr. Kasson replied:
I then asked for more clarification:
Dr. Kasson just answered me now on this:
kasson said:Hmm--the core shouldn't allow SMP 7 in the first place. Please don't run SMP 7--it's a bad idea for WU stability. I'll talk to the core developers about removing it.
I then asked for more clarification:
Tobit said:Dr. Kasson - Could you please make a public statement regarding this? I know of at least two dozen donors who fold with -smp 7 but this is the first I've heard of this. I know there were issues in the past with large prime numbers but -smp 7 is hardly large. I'd really like to be educated on this please. I've performed a search here on FF but have found no other posts relative to this.
Dr. Kasson just answered me now on this:
kasson said:The problem is that Gromacs does a 2D decomposition based on factoring the number of threads you give it. So if you give it a number like 7 or 13, the best it can do is 7x1 or 13x1, whereas 12 can yield 4x3 and 8 can yield 4x2. The more thinly the system gets broken up, the more likely it is to fail. Hence easily factorable numbers are better...
Most of the early A3 SMP work units we've done involve relatively large systems (particularly many of the influenza-related projects I have). So I think we may have had an early bias towards systems where one could get away with less-stable settings more of the time.