Benchmark
Benchmark of GENESIS 1.3 and 1.4 on PC clusters
Force field: CHARMM
Integrator : VVER (PME every 2 steps)
Ensemble : NVE
Time step : 2 fs
CPU: Intel Xeon Gold 6142 (2.6 GHz)
GPU: Geforce GTX 1080 Ti
Precision : Mixed precision
DHFR (23,558 atoms) switch, cutoff, pairlist = 10, 12, 13.5 Å |
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STMV (1,066,628 atoms) switch, cutoff, pairlist= 10, 12, 13.5 Å |
Benchmark of GENESIS 1.0 and 1.1
Integrator : VVER or RESPA (PME every 2 steps)
Ensemble : NVE
Time step : 2 fs
- Intel and GPU benchmarks (CPU, CPU+GPU)
CPU: Intel(R) Xeon(R) CPU E5-2670 0 @ 2.60GHz (2 CPU x 8 cores/node)
GPU: NVIDIA Tesla K20x (2 GPUs/node)
Compiler: openmpi 1.10.1 + intel (fortran/C) 15.0.5.223 + cuda 6.5
Precision : double precision (dp) or mixed precision (sp) - K computer benchmarks
CPU: SPARC64(TM) VIIIFx (8 cores/node)
Compiler: Fujitsu compiler
Precision: double precision