The present panorama of HPC architectures is extremely heterogeneous, ranging from traditional multi-core CPU processors, supporting a wide class of applications but delivering moderate computing performance, to many-core GPUs, exploiting aggressive data-parallelism and delivering higher performances for streaming computing applications. In this scenario, code portability (and performance portability) become necessary for easy maintainability of applications; this is very relevant in scientific computing where code changes are very frequent, making it tedious and prone to error to keep different code versions aligned. In this work we present the design and optimization of a state-of-the-art production-level LQCD Monte Carlo application, using the directive-based OpenACC programming model. OpenACC abstracts parallel programming to a descriptive level, relieving programmers from specifying how codes should be mapped onto the target architecture. We describe the implementation of a code fully written in OpenACC, and show that we are able to target several different architectures, including state-of-the-art traditional CPUs and GPUs, with the same code. We also measure performance, evaluating the computing efficiency of our OpenACC code on several architectures, comparing with GPU-specific implementations and showing that a good level of performance-portability can be reached.
As a programming model we have selected OpenACC, as it currently has a wider compiler support, in particular targeting NVIDIA GPUs, which are widely used in HPC clusters and commonly used for scientific computations. OpenACC has been successfully used to port and run other scientific codes, such as Lattice Boltzmann applications @cite_52 @cite_25 @cite_8 in computational fluid-dynamics, showing a good level of code and performance portability on several architectures. The migration of our code to OpenMP4, if needed, as soon as compiler support becomes more mature, is expected to be a simple additional effort.
@cite_25 @cite_52 @cite_8
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This paper describes our OpenACC porting efforts for a code that we have developed that solves the isothermal incompressible Navier Stokes equation via the lattice Boltzmann method (LBM). Implemented initially as a hybrid MPI OpenMP parallel program, we ported our code to use OpenACC in order to obtain the benefit of accelerators in a high performance computing (HPC) environment. We describe the elements of parallelism inherent in the LBM algorithm and the way in which that parallelism can be expressed using OpenACC directives. By setting compile-time flags during the build process, the program alternatively can be compiled for, and continue to run without the benefit of, accelerators. Through this porting process we were able to accelerate our code in an incremental fashion without extensive code transformation. We point out some additional efforts that were required to expose C++ class data members to the OpenACC compiler and describe difficulties encountered in this process. We show an instance where similar code segments decorated with the same OpenACC directives can result in different compiler outputs with significantly different performance properties. The result of the code porting process, which occurred primarily during OpenACC EuroHack, a 5-day intensive computing workshop, was a 5.5x speedup over the non-accelerated version of the code. Todays HPC systems are increasingly utilizing accelerators to lower time to solution for their users and reduce power consumption. To utilize the higher performance and energy efficiency of these accelerators, application developers need to rewrite at least parts of their codes. Taking the C++ flow solver ZFS as an example, we show that the directive-based programming model allows one to achieve good performance with reasonable effort, even for mature codes with many lines of code. Using OpenACC directives permitted us to incrementally accelerate ZFS, focusing on the parts of the program that are relevant for the problem at hand. The two new OpenACC 2.0 features, unstructured data regions and atomics, are required for this. OpenACC's interoperability with existing GPU libraries via the host_data use_device construct allowed to use CUDA-aware MPI to achieve multi-GPU scalability comparable to the CPU version of ZFS. Like many other codes, the data structures of ZFS have been designed with traditional CPUs and their relatively large private caches in mind. This leads to suboptimal memory access patterns on accelerators, such as GPUs. We show how the texture cache on NVIDIA GPUs can be used to minimize the performance impact of these suboptimal patterns without writing platform specific code. For the kernel most affected by the memory access pattern, we compare the initial array of structures memory layout with a structure of arrays layout. Hardware accelerators such as GPGPUs are becoming increasingly common in HPC platforms and their use is widely recognised as being one of the most promising approaches for reaching exascale levels of performance. Large HPC centres, such as AWE, have made huge investments in maintaining their existing scientific software codebases, the vast majority of which were not designed to effectively utilise accelerator devices. Consequently, HPC centres will have to decide how to develop their existing applications to take best advantage of future HPC system architectures. Given limited development and financial resources, it is unlikely that all potential approaches will be evaluated for each application. We are interested in how this decision making can be improved, and this work seeks to directly evaluate three candidate technologies-OpenACC, OpenCL and CUDA-in terms of performance, programmer productivity, and portability using a recently developed Lagrangian-Eulerian explicit hydrodynamics mini-application. We find that OpenACC is an extremely viable programming model for accelerator devices, improving programmer productivity and achieving better performance than OpenCL and CUDA. Abstract The porting of a key kernel in the tracer advection routines of the Community Atmosphere Model – Spectral Element (CAM-SE) to use Graphics Processing Units (GPUs) using OpenACC is considered in comparison to an existing CUDA FORTRAN port. The development of the OpenACC kernel for GPUs was substantially simpler than that of the CUDA port. Also, OpenACC performance was about 1.5× slower than the optimized CUDA version. Particular focus is given to compiler maturity regarding OpenACC implementation for modern FORTRAN, and it is found that the Cray implementation is currently more mature than the PGI implementation. Still, for the case that ran successfully on PGI, the PGI OpenACC runtime was slightly faster than Cray. The results show encouraging performance for OpenACC implementation compared to CUDA while also exposing some issues that may be necessary before the implementations are suitable for porting all of CAM-SE. Most notable are that GPU shared memory should be used by future OpenACC implementations and that derived type support should be expanded.