Execution Time for Fayalite-FIST Benchmark

[Eunice Oliveira]

Hi everyone, 

I'm testing the Fayalite-FIST benchmark use case on a c3d-standard-60 machine (60 cores with MPI and OMP_NUM_THREADS set to 1) hosted on Google Cloud. The simulation took 3 minutes and 9 seconds to complete. Is this a typical execution time for this?

Similarly, when I tested the H2O-64 benchmark, it took 51 seconds.

If so, can anyone point me to an example that might take longer, say 1 hour?

Thanks in advance!

Best,

Eunice Oliveira

[Thomas Kühne]

Dear Eunice Oliveira, 

the timing seem reasonable to me, for comparison you 

may check https://www.cp2k.org/performance, though 

it only contains rather outdated machines and values. 

For larger running times you can either select a larger 

H2O QS benchmark from 

https://github.com/cp2k/cp2k/tree/master/benchmarks/QS/, 

or replicate the cell MULTIPLE_UNIT_CELL within the 

TOPOLOGY and CELL sections. 

Best, 

Thomas Kühne

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