Benchmarks: Difference between revisions
Jump to navigation
Jump to search
| Line 13: | Line 13: | ||
|Laptop || 1 || ? || ? || ? | |Laptop || 1 || ? || ? || ? | ||
|- | |- | ||
|rowspan="2"|Desktop (intel) || 1 || 228 || ? || ? | |rowspan="2"|Desktop (intel) || 1 || ?228 || ? || ? | ||
|- | |- | ||
| 4 || 57 || ? || ? | | 4 || 57 || ? || ? | ||
|- | |- | ||
|rowspan="2"|Desktop (gfortran) || 1 || 326 || ? || ? | |rowspan="2"|Desktop (gfortran) || 1 || ?326 || ? || ? | ||
|- | |- | ||
| 4 || ? || ? || ? | | 4 || ? || ? || ? | ||
| Line 25: | Line 25: | ||
|Mac mini (gfortran) || 2 || ? || ? || ? | |Mac mini (gfortran) || 2 || ? || ? || ? | ||
|- | |- | ||
|rowspan="5"|Server || 1 || 144 || ? || ? | |rowspan="5"|Server || 1 || ?144 || ? || ? | ||
|- | |- | ||
| 10 || 16 || 762 || 2997 | | 10 || ?16 || ?762 || ?2997 | ||
|- | |- | ||
| 20 || 10 || 420 || 1623 | | 20 || ?10 || ?420 || ?1623 | ||
|- | |- | ||
| 50 || 5 || 221 || 807 | | 50 || ?5 || ?221 || ?807 | ||
|- | |- | ||
|100 || 5 || 152 || 529 | |100 || ?5 || ?152 || ?529 | ||
|- | |- | ||
|} | |} | ||
Revision as of 09:41, 10 February 2010
Benchmark results for CYANA 3.0:
| Computer system | Number of processors (cores) | Computation time (s) | ||
| Basic | Auto | Test suite | ||
| Laptop | 1 | ? | ? | ? |
| Desktop (intel) | 1 | ?228 | ? | ? |
| 4 | 57 | ? | ? | |
| Desktop (gfortran) | 1 | ?326 | ? | ? |
| 4 | ? | ? | ? | |
| Mac mini (intel) | 2 | 87 | 4092 | 14977 |
| Mac mini (gfortran) | 2 | ? | ? | ? |
| Server | 1 | ?144 | ? | ? |
| 10 | ?16 | ?762 | ?2997 | |
| 20 | ?10 | ?420 | ?1623 | |
| 50 | ?5 | ?221 | ?807 | |
| 100 | ?5 | ?152 | ?529 | |
February 2010
Computer systems:
- Laptop: Laptop computer with 1 Intel Core 2 Duo L7800 dual-core CPU, 2.00 Ghz, 2.0 GB memory, Cygwin under Windows Vista, g95 Fortran compiler.
- Desktop: Desktop computer with 1 Intel Core 2 Q9400 quad-core CPU, 2.66 Ghz, 4.0 GB memory, Ubuntu 8.10 Linux, Intel or gfortran (-O3) Fortran compiler.
- Server: Linux cluster system with 20 nodes, each having 2 Intel Xeon E5462 quad-core CPUs, 2.80 Ghz, 16 GB memory, Ubuntu 8.04 Linux, Intel Fortran compiler, OpenMPI.
- Mac mini: Mac mini with 1 Intel Core 2 Duo dual-core CPU, 2.53 Ghz, 4.0 GB memory, Mac OS X 10.6.2 (Snow Leopard), Intel or gfortran (-O3) Fortran compiler.
Benchmark types:
- Basic: Structure calculation of a protein with 114 amino acid residues, 1737 NOE distance restraints, 110 torsion angle restraints. 50 conformers are calculated using 4000 torsion angle dynamics steps per conformer.
- Auto: Structure calculation with automated NOESY assignment of a protein with 114 amino acid residues, 4732 NOESY cross peaks, 88 torsion angle restraints. 8 x 100 = 800 conformers are calculated using 10000 torsion angle dynamics steps per conformer.
- Test suite: Complete CYANA 3.0 test suite, comprising the 'basic' and 'auto' calculations, as well as structure calculations for homodimers, structure calculations using RDCs, pseudocontact shifts, etc.