Benchmarks: Difference between revisions
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|width="15%"|'''Test suite''' | |width="15%"|'''Test suite''' | ||
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|Laptop | |Laptop || 1 || ? || ? || ? | ||
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|rowspan="2"|Desktop (intel) || 1 || 228 || ? || ? | |rowspan="2"|Desktop (intel) || 1 || 228 || ? || ? | ||
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===== Computer systems: ===== | ===== 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, | * '''Laptop:''' Laptop computer with 1 Intel Core 2 Duo L7800 dual-core CPU, 2.00 Ghz, 2.0 GB memory, Cygwin under Windows Vista, [http://www.g95.org/ g95] Fortran compiler. | ||
* '''Desktop:''' Desktop computer with 1 Intel Core 2 Q6600 quad-core CPU, 2.40 Ghz, 3.0 GB memory, Ubuntu 8.04 Linux, Intel or gfortran (-O3) Fortran compiler. | * '''Desktop:''' Desktop computer with 1 Intel Core 2 Q6600 quad-core CPU, 2.40 Ghz, 3.0 GB memory, Ubuntu 8.04 Linux, Intel or gfortran (-O3) Fortran compiler. | ||
Revision as of 10:02, 8 December 2008
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 | 62 | ? | ? | |
| Desktop (gfortran) | 1 | 326 | ? | ? |
| 4 | ? | ? | ? | |
| Server | 1 | 144 | ? | ? |
| 10 | 16 | 762 | 2997 | |
| 20 | 10 | 420 | 1623 | |
| 50 | 5 | 221 | 807 | |
| 100 | 5 | 152 | 529 | |
December 2008
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 Q6600 quad-core CPU, 2.40 Ghz, 3.0 GB memory, Ubuntu 8.04 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.
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.