Number of cores used |
1 |
2 |
3 |
4 |
Test 1, Opteron 285 (Rev. E) 2.6 GHz, CPU time, speedup, and relative frequency |
4150.5 100% 2600 |
2050.1 203% 2600 |
1397.6 297% 2600 |
1060.1 392% 2600 |
Test 1, Opteron 2220 SE (Rev. F) 2.8 GHz, CPU time, speedup, and relative frequency |
3826.5 100% 2820 |
1900.0 201% 2805 |
1290.0 297% 2817 |
978.6 391% 2817 |
Test 2, Opteron 285 (Rev. E) 2.6 GHz, Wall clock time, speedup, and relative frequency |
296.7 100% 2600 |
183.8 161% 2600 |
148.1 200% 2600 |
133.9 222% 2600 |
Test 2, Opteron 2220 SE (Rev. F) 2.8 GHz, Wall clock time, speedup, and relative frequency |
282.2 100% 2734
|
176.3 160% 2711
|
141.2 200% 2727
|
131.4 215% 2649
|
Test 3, Opteron 285 (Rev. E) 2.6 GHz, CPU time, speedup, and relative frequency |
7356.0 100% 2600 |
3705.3 199% 2600 |
2492.0 295% 2600 |
1864.4 395% 2600 |
Test 3, Opteron 2220 SE (Rev. F) 2.8 GHz, CPU time, speedup, and relative frequency |
6836.2 100% 2798 |
3439.9 199% 2801 |
2312.2 296% 2802 |
1727.3 396% 2806 |
Test 4, Opteron 285 (Rev. E) 2.6 GHz, Wall clock time, speedup, and relative frequency |
1075.3 100% 2600 |
563.7 191% 2600 |
459.2 234% 2600 |
341.2 315% 2600 |
Test 4, Opteron 2220 SE (Rev. F) 2.8 GHz, Wall clock time, speedup, and relative frequency |
991.8 100% 2819 |
526.2 188% 2785 |
433.2 229% 2756 |
326.2 304% 2720 |
Test 5 (PC GAMESS version 7.0.3 code), Opteron 285 (Rev. E) 2.6 GHz, CPU time, speedup, and relative frequency |
8699.7 100% 2600 |
4463.7 193% 2600 |
3180.5 272% 2600 |
2501.0 346% 2600 |
Test 5 (PC GAMESS version 7.0.3 code), Opteron 2220 SE (Rev. F) 2.8 GHz, CPU time, speedup, and relative frequency |
8160.8 100% 2772 |
4167.0 196% 2785 |
3027.5 270% 2731 |
2322.3 352% 2800 |
Test 5 (PC GAMESS version 7.0.4 code), Opteron 285 (Rev. E) 2.6 GHz, CPU time, speedup, and relative frequency |
8641.4 100% 2600 |
4418.5 196% 2600 |
3142.6 275% 2600 |
2510.5 344% 2600 |
Test 5 (PC GAMESS version 7.0.4 code), Opteron 2220 SE (Rev. F) 2.8 GHz, CPU time, speedup, and relative frequency |
7998.3 100% 2809 |
4111.9 195% 2794 |
2945.2 272% 2774 |
2333.4 343% 2797 |
Test 6, Opteron 285 (Rev. E) 2.6 GHz, CPU time, speedup, and relative frequency |
22389.0 100% 2600 |
11294.4 198% 2600 |
7666.4 292% 2600 |
5784.7 387% 2600 |
Test 6, Opteron 2220 SE (Rev. F) 2.8 GHz, CPU time, speedup, and relative frequency |
20910.2 100% 2784
|
10549.3 198% 2784
|
7171.8 292% 2779
|
5434.9 385% 2767
|
Standard MP4(SDTQ) benchmark, Opteron 285 (Rev. E) 2.6 GHz, CPU time, speedup, and relative frequency |
11372.9 100% 2600 |
5815.6 196% 2600 |
3932.3 289% 2600 |
3051.1 373% 2600 |
Standard MP4(SDTQ) benchmark, Opteron 2220 SE (Rev. F) 2.8 GHz, CPU time, speedup, and relative frequency |
10324.5 100% 2864 |
5370.4 192% 2815 |
3652.6 283% 2799 |
2845.8 363% 2788 |
AMD Opteron 285 2.6 GHz, Rev. E, dual processor (four CPU cores), Sun Galaxy X4100, 8x1024 MB DDR 400 ECC Registered RAM, 74GB Fujitsu 10K SAS Drive, Linux RHEL AMD64 Release 3.
AMD Opteron 2220 SE 2.8 GHz, Rev. F, dual processor (four CPU cores), Sun Galaxy X4100 M2, 8x1024 MB DDR2 667 ECC Registered RAM, 74GB Fujitsu 10K SAS Drives, Linux RHEL AMD64 Release 3.
Test 1, single-point direct DFT (B3LYP) energy plus gradient for medium-size system (623 basis functions). View image
Test 2, single-point semiempirical (PM3) energy plus gradient for large system (540 atoms, 2160 basis functions). View image
Test 3, single-point direct MP2 energy for medium-size system (623 basis functions, the same system as one used for Test 1). View image
Test 4, single-point two-state MCQDPT2 energy with ISA energy denominators shift for small model system. View image
Test 5, single-point direct CASSCF(12,12) for medium-size system (retinal molecule, cc-pVDZ, 565 Cartesian basis functions) using ALDET code. View image
Test 6, single-point direct CIS energy plus gradient of first excited state of medium-size system (porphyrin molecule, cc-pVTZ (aug-cc on Nitrogens), 1130 Cartesian basis functions, D2h group). View image
Tests 2, 4, as well as standard MP4 benchmark were run in multithreaded mode, other tests were run in standard parallel mode using dynamic load balancing over p2p interface. Note that test 2 does not scale well mainly due to limitations of the PC GAMESS' semiempirical code, while test 4 would scale much better for larger job. CPU or Wall clock times are given on master node in seconds. Relative frequency is relative to Rev. E Opteron and is given in MHz. Note that in most cases it is lower than the nominal frequency of Rev. F CPU.
Press to visit PC GAMESS' eight core systems performance comparison page
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Press to visit PC GAMESS Pentium 4 family Xeon processor benchmarks page to compare the results of these benchmarks with those obtained on Xeon DP processors.
Press to visit PC GAMESS Pentium 4 family benchmarks page to compare the results of these benchmarks with those obtained on various Netburst (Pentium 4 and Pentium D) processors.
Press to visit the PC GAMESS vs. WinGamess performance comparison page to compare the results of these benchmarks with those obtained on older processors. Input files can be found there too.