GPU Acceleration of Communication Avoiding Chebyshev Basis Conjugate Gradient Solver for Multiphase CFD Simulations

Iterative methods for solving large linear systems are common parts of computational fluid dynamics (CFD) codes. The Preconditioned Conjugate Gradient (P-CG) method is one of the most widely used iterative methods. However, in the P-CG method, global collective communication is a crucial bottleneck especially on accelerated computing platforms. To resolve this issue, communication avoiding (CA) variants of the P-CG method are becoming increasingly important. In this paper, the P-CG and Preconditioned Chebyshev Basis CA CG (P-CBCG) solvers in the multiphase CFD code JUPITER are ported to the latest V100 GPUs. All GPU kernels are highly optimized to achieve about 90% of the roofline performance, the block Jacobi preconditioner is re-designed to extract high computing power of GPUs, and the remaining bottleneck of halo data communication is avoided by overlapping communication and computation. The overall performance of the P-CG and P-CBCG solvers is determined by the competition between the CA properties of the global collective communication and the halo data communication, indicating an importance of the inter-node interconnect bandwidth per GPU. The developed GPU solvers are accelerated up to 2x compared with the former CPU solvers on KNLs, and excellent strong scaling is achieved up to 7,680 GPUs on the Summit.