rDLB: A Novel Approach for Robust Dynamic Load Balancing of Scientific Applications with Parallel Independent Tasks

Scientific applications often contain large and computationally intensive parallel loops. Dynamic loop self scheduling (DLS) is used to achieve a balanced load execution of such applications on high performance computing (HPC) systems. Large HPC systems are vulnerable to processors or node failures and perturbations in the availability of resources. Most self-scheduling approaches do not consider fault-tolerant scheduling or depend on failure or perturbation detection and react by rescheduling failed tasks. In this work, a robust dynamic load balancing (rDLB) approach is proposed for the robust self scheduling of independent tasks. The proposed approach is proactive and does not depend on failure or perturbation detection. The theoretical analysis of the proposed approach shows that it is linearly scalable and its cost decrease quadratically by increasing the system size. rDLB is integrated into an MPI DLS library to evaluate its performance experimentally with two computationally intensive scientific applications. Results show that rDLB enables the tolerance of up to (P minus one) processor failures, where P is the number of processors executing an application. In the presence of perturbations, rDLB boosted the robustness of DLS techniques up to 30 times and decreased application execution time up to 7 times compared to their counterparts without rDLB

Taking advantage of hybrid systems for sparse direct solvers via task-based runtimes

The ongoing hardware evolution exhibits an escalation in the number, as well as in the heterogeneity, of computing resources. The pressure to maintain reasonable levels of performance and portability forces application developers to leave the traditional programming paradigms and explore alternative solutions. PaStiX is a parallel sparse direct solver, based on a dynamic scheduler for modern hierarchical manycore architectures. In this paper, we study the benefits and limits of replacing the highly specialized internal scheduler of the PaStiX solver with two generic runtime systems: PaRSEC and StarPU. The tasks graph of the factorization step is made available to the two runtimes, providing them the opportunity to process and optimize its traversal in order to maximize the algorithm efficiency for the targeted hardware platform. A comparative study of the performance of the PaStiX solver on top of its native internal scheduler, PaRSEC, and StarPU frameworks, on different execution environments, is performed. The analysis highlights that these generic task-based runtimes achieve comparable results to the application-optimized embedded scheduler on homogeneous platforms. Furthermore, they are able to significantly speed up the solver on heterogeneous environments by taking advantage of the accelerators while hiding the complexity of their efficient manipulation from the programmer.Comment: Heterogeneity in Computing Workshop (2014

Tackling Exascale Software Challenges in Molecular Dynamics Simulations with GROMACS

GROMACS is a widely used package for biomolecular simulation, and over the last two decades it has evolved from small-scale efficiency to advanced heterogeneous acceleration and multi-level parallelism targeting some of the largest supercomputers in the world. Here, we describe some of the ways we have been able to realize this through the use of parallelization on all levels, combined with a constant focus on absolute performance. Release 4.6 of GROMACS uses SIMD acceleration on a wide range of architectures, GPU offloading acceleration, and both OpenMP and MPI parallelism within and between nodes, respectively. The recent work on acceleration made it necessary to revisit the fundamental algorithms of molecular simulation, including the concept of neighborsearching, and we discuss the present and future challenges we see for exascale simulation - in particular a very fine-grained task parallelism. We also discuss the software management, code peer review and continuous integration testing required for a project of this complexity.Comment: EASC 2014 conference proceedin

Transparent Orchestration of Task-based Parallel Applications in Containers Platforms

This paper presents a framework to easily build and execute parallel applications in container-based distributed computing platforms in a user-transparent way. The proposed framework is a combination of the COMP Superscalar (COMPSs) programming model and runtime, which provides a straightforward way to develop task-based parallel applications from sequential codes, and containers management platforms that ease the deployment of applications in computing environments (as Docker, Mesos or Singularity). This framework provides scientists and developers with an easy way to implement parallel distributed applications and deploy them in a one-click fashion. We have built a prototype which integrates COMPSs with different containers engines in different scenarios: i) a Docker cluster, ii) a Mesos cluster, and iii) Singularity in an HPC cluster. We have evaluated the overhead in the building phase, deployment and execution of two benchmark applications compared to a Cloud testbed based on KVM and OpenStack and to the usage of bare metal nodes. We have observed an important gain in comparison to cloud environments during the building and deployment phases. This enables better adaptation of resources with respect to the computational load. In contrast, we detected an extra overhead during the execution, which is mainly due to the multi-host Docker networking.This work is partly supported by the Spanish Government through Programa Severo Ochoa (SEV-2015-0493), by the Spanish Ministry of Science and Technology through TIN2015-65316 project, by the Generalitat de Catalunya under contracts 2014-SGR-1051 and 2014-SGR-1272, and by the European Union through the Horizon 2020 research and innovation program under grant 690116 (EUBra-BIGSEA Project). Results presented in this paper were obtained using the Chameleon testbed supported by the National Science Foundation.Peer ReviewedPostprint (author's final draft

FADI: a fault-tolerant environment for open distributed computing

FADI is a complete programming environment that serves the reliable execution of distributed application programs. FADI encompasses all aspects of modern fault-tolerant distributed computing. The built-in user-transparent error detection mechanism covers processor node crashes and hardware transient failures. The mechanism also integrates user-assisted error checks into the system failure model. The nucleus non-blocking checkpointing mechanism combined with a novel selective message logging technique delivers an efficient, low-overhead backup and recovery mechanism for distributed processes. FADI also provides means for remote automatic process allocation on the distributed system nodes