[CP2K-user] [CP2K:21266] Execution Time for Fayalite-FIST Benchmark

[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it only contains rather outdated machines and values.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

> Am 05.03.2025 um 15:46 schrieb Eunice Oliveira <eoliveira at inductiva.ai>:
> 
> Hi everyone, 
> 
> I'm testing the Fayalite-FIST benchmark <https://www.cp2k.org/performance#fayalite-fist> 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 <https://www.cp2k.org/performance#h2o-64>, 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
> 
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