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NAMD Benchmark

NAMDの公式ホームページで公開されているベンチマーク(http://www.ks.uiuc.edu/Research/namd/utilities/)を実行しました。継続的にデータを取得してまいります。「s/step」、「days/ns」共に値が小さいほどパフォーマンスが高いことを示します。

stmv 
1,066,628 atoms, 12A cutoff + PME every 4 steps, periodic
stmv

Info: ****************************
Info: STRUCTURE SUMMARY:
Info: 1066628 ATOMS
Info: 769956 BONDS
Info: 605872 ANGLES
Info: 450875 DIHEDRALS
Info: 24578 IMPROPERS
Info: 0 CROSSTERMS
Info: 0 EXCLUSIONS
Info: 3199884 DEGREES OF FREEDOM
Info: 389067 HYDROGEN GROUPS
Info: 4 ATOMS IN LARGEST HYDROGEN GROUP
Info: 389067 MIGRATION GROUPS
Info: 4 ATOMS IN LARGEST MIGRATION GROUP
Info: TOTAL MASS = 6.69877e+06 amu
Info: TOTAL CHARGE = 0.000168104 e
Info: MASS DENSITY = 1.09115 g/cm^3
Info: ATOM DENSITY = 0.104627 atoms/A^3
Info: *****************************

Apoa1 
92,224 atoms, 12A cutoff + PME every 4 steps, periodic
f1atpase 
327,506 atoms, 11A cutoff + PME every 4 steps, periodic