PC GAMESS v. 7.0.4: Opteron Rev. E vs. Opteron Rev. F benchmarks


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

 


OS and hardware description



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.



Tests description


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

More data on standard MP4(SDTQ) benchmark

Test comments


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.



Copyright © 2007 by Alex A. Granovsky

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