############################################# Benchmark Results from Tinker 3.1 (June '96) ############################################# ####################################################### Isolated Crambin Molecule - Potential Energy Evaluation ####################################################### MACHINE TYPE MHz SETUP ENERGY GRADIENT HESSIAN ------------ --- ----- ------ -------- ------- DEC Alpha 2100 190 0.789 0.292 0.486 4.969 DEC Alpha 3000/400 133 0.900 0.408 0.670 5.839 SGI Indy R10000 195 0.397 0.123 0.242 2.261 SGI Indy R4400 174 0.768 0.478 0.686 6.880 SGI Indigo2 R4000 100 1.289 0.789 1.260 14.081 HP 9000/730 66 1.148 0.477 0.813 8.633 Sun SPARCserver 630MP 55 1.975 0.667 1.158 11.284 Sun SPARCstation 2 40 2.089 1.229 2.582 29.045 IBM RS6000/320H 25 2.280 1.300 2.390 21.750 ############################################# Crambin Crystal - Potential Energy Evaluation ############################################# MACHINE TYPE MHz SETUP ENERGY GRADIENT HESSIAN ------------ --- ----- ------ -------- ------- DEC Alpha 2100 190 1.249 0.963 1.434 7.573 DEC Alpha 3000/400 133 1.477 1.408 2.076 10.562 SGI Indy R10000 195 0.608 0.298 0.479 3.473 SGI Indy R4400 174 1.219 1.004 1.620 9.869 SGI Indigo2 R4000 100 2.173 1.751 2.713 17.440 HP 9000/730 66 2.023 1.625 2.227 17.496 Sun SPARCserver 630MP 55 3.156 1.453 2.593 23.136 Sun SPARCstation 2 40 3.535 3.552 5.307 38.742 IBM RS6000/320H 25 4.390 3.810 5.960 41.340 ##################################################### 216 TIP3P Waters in Periodic Box - 100 Dynamics Steps ##################################################### MACHINE TYPE MHz DYNAMICS ------------ --- -------- DEC Alpha 2100 190 45.2 DEC Alpha 3000/400 133 65.4 SGI Indy R10000 195 15.3 SGI Indy R4400 174 44.7 SGI Indigo2 R4000 100 82.2 HP 9000/730 66 75.3 Sun SPARCserver 630MP 55 88.4 Sun SPARCstation 2 40 172.8 IBM RS6000/320H 25 221.7 ---------------------- All times are in seconds and were measured with Tinker version 3.1, dimensioned to MAXATOMS=2200 and MAXHESS=3000000. Each benchmark was run twice in rapid succession on a quiet machine, and times reported are the fastest results from the second run.