| Title: | phiGEMM: a CPU-GPU library for porting Quantum ESPRESSO on hybrid systems
|
| Authors: | Filippo Spiga, Ivan Girotto, 2011 |
| Abstract: | GPU computing has revolutionized HPC by bringing
the performance of the supercomputer to the desktop. Attractive
price, performance, and power characteristics allow
multiple GPUs to be plugged into both desktop machines
as well as supercomputer nodes for increased performance.
Excellent performance and scalability can be
achieved for some problems using hybrid combinations of
multiple GPUs and CPU computing resources. This paper
presents the acceleration of the open-source QUANTUM
ESPRESSO package with the freely available ICHEC
PHIGEMM library. Specifically, the parallel implementation
and scaling of the PHIGEMM matrix-matrix multiplication
will be discussed. This library can be called from applications
using a standard GEMM interface (e.g. SGEMM,
DGEMM, CGEMM, or ZGEMM) to perform matrix-matrix
multiplication using one or more GPUs as well as the host
multi-core processor. An 8.9-times speedup is reported in
overall run-time of a representative AUSURF112 benchmark
for a PWSCF calculation. In addition, multi-GPU
scaling and performance for 3D-FFTs are discussed. |
| ICHEC Project: | |
| Publication: | 20th Euromicro International Conference on Parallel, Distributed and Network-Based Computing (PDP2012), February 15-17, 2012, Garching (Germany) |
| URL: | Not available yet |
| Keywords: | CUDA, multi-GPU, matrix-matrix multiplication, 3D-FFT Density Functional Theory, application porting |
| Status: | Accepted |
