Hi Folks, I installed a new i9-13900k and I was just curious to see how the P cores and E cores compared. I did an SCF of a phyllosilicate using each and I find that it converges nicely in all cases but that the number of iterations to reach convergence is different. I’m just curious why. Run on the 16 E cores only: mpirun —cpu-set 8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23 —bind-to core -n 16 pw.x < Cronstedtite.scf | tee Cronstedtite.scf.16Ecore.out Run on the 8 P cores only: mpirun —cpu-set 0,1,2,3,4,5,6,7 —bind-to core -n 8 pw.x < Cronstedtite.scf | tee Cronstedtite.scf.8Pcore.out Run on all 24 cores: mpirun —bind-to core -n 24 pw.x < Cronstedtite.scf | tee Cronstedtite.scf.8P16Ecore.out I find 1 hour for the E cores, 53 mins for the P cores, and 29 mins for all cores — which is practically linear scaling. However, 22 iterations to converge on E cores, 26 to converge on P cores, and 15 to converge on all cores. It looks like the more cores the fewer the number of convergence steps? (Input and output files and a spreadsheet attached if anyone is interested.) Thanks, Zack Gainsforth Space Sciences Laboratory University of California, Berkeley |
Cronstedtite.scf
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Cronstedtite.scf.8P16Ecore.out
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Cronstedtite.scf.8Pcore.out
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Cronstedtite.scf.16Ecore.out
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CalculationSpeed.ods
Description: application/vnd.oasis.opendocument.spreadsheet
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