[CP2K-user] [CP2K:11915] Cores to use the H2O_64 benchmark

[Thomas Kühne]

Dear Julita, 

this is a rather old benchmark conducted on „Jump“ at Jülich around 2005! 
For the largest systems benchmarks for small CPU number are most likely 
not available due to limited memory and/or unreasonable execution time. 

Cheers, 
Thomas

> Am 26.06.2019 um 22:17 schrieb Julita Inca Chiroque <ji... at pucp.pe>:
> 
> Hello cp2k group
> 
> Can I ask if there is a reason to plot the graph attached (found in the CP2K official website) since 8 cores to test the H2O_256.inp instead of 1?
> 
> I was trying to run the benchmark using 1 to 512 cores, and it crashes when I set 1, 2, and 4 cores with MPI. I was looking for the solution to fix this bug, but I don't have the right answer yet. I run this sample three times so far on a Broadwell architecture. 
> 
> Thanks in advance,
> Julita Inca
> 
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