White Papers

Ready Specs

Figure 3: LAMMPS Performance with R740

The LAMMPS version used for this testing is 17Aug2017, which is the latest stable version at the time of testing. The testing dataset is

in.intel.lj, which is the same one in all pervious GPU LAMMPS testing and it can be found here. With the same parameters set from

previous testing, the initial values of space were x=4, y=z=2, the simulation executes with 512k atoms. Weak scaling obvious as

timesteps/s number of 2 and 3 cards only 1.5 and 1.7 times than single card’s. The reason for this is that the workload isn’t heavy

enough for 3 V100 GPUs. After adjusting all x,y,z to 8, 16M atoms generated in simulation, and then the performance scaled well with

multiple cards. As shown in Figure 3, 2 and 3 cards is 1.8 and 2.4 times faster than single card, respectively. This results of LAMMPS

is another example for GPU accelerated HPC applications that can benefit from having more GPUs in the system.

Conclusion

The R740 server with multiple Nvidia Tesla V100-PCIe GPUs demonstrates exceptional performance for applications like HPL, HPCG

and LAMMPS. Besides balanced I/O, R740 has the flexibility for running HPC applications with 1, 2 or 3 GPUs. The newly added

support for an additional 3

GPU provides more compute power as well as larger total memory in GPU. Many applications work best

when data fits in GPU memory and having the 3

GPU allows fitting larger problems with R740.

References:

PowerEdge R740 Technical Guide: http://i.dell.com/sites/doccontent/shared-content/data-

sheets/en/Documents/PowerEdge_R740_R740xd_Technical_Guide.pdf