Fault tolerance of MPI applications in exascale systems: The ULFM solution

[Abstract] The growth in the number of computational resources used by high-performance computing (HPC) systems leads to an increase in failure rates. Fault-tolerant techniques will become essential for long-running applications executing in future exascale systems, not only to ensure the completion of their execution in these systems but also to improve their energy consumption. Although the Message Passing Interface (MPI) is the most popular programming model for distributed-memory HPC systems, as of now, it does not provide any fault-tolerant construct for users to handle failures. Thus, the recovery procedure is postponed until the application is aborted and re-spawned. The proposal of the User Level Failure Mitigation (ULFM) interface in the MPI forum provides new opportunities in this field, enabling the implementation of resilient MPI applications, system runtimes, and programming language constructs able to detect and react to failures without aborting their execution. This paper presents a global overview of the resilience interfaces provided by the ULFM specification, covers archetypal usage patterns and building blocks, and surveys the wide variety of application-driven solutions that have exploited them in recent years. The large and varied number of approaches in the literature proves that ULFM provides the necessary flexibility to implement efficient fault-tolerant MPI applications. All the proposed solutions are based on application-driven recovery mechanisms, which allows reducing the overhead and obtaining the required level of efficiency needed in the future exascale platforms.Ministerio de Economía y Competitividad and FEDER; TIN2016-75845-PXunta de Galicia; ED431C 2017/04National Science Foundation of the United States; NSF-SI2 #1664142Exascale Computing Project; 17-SC-20-SCHoneywell International, Inc.; DE-NA000352

Hybrid time-dependent Ginzburg-Landau simulations of block copolymer nanocomposites: nanoparticle anisotropy

Block copolymer melts are perfect candidates to template the position of colloidal nanoparticles in the nanoscale, on top of their well-known suitability for lithography applications. This is due to their ability to self-assemble into periodic ordered structures, in which nanoparticles can segregate depending on the polymer-particle interactions, size and shape. The resulting coassembled structure can be highly ordered as a combination of both the polymeric and colloidal properties. The time-dependent Ginzburg-Landau model for the block copolymer was combined with Brownian dynamics for nanoparticles, resulting in an efficient mesoscopic model to study the complex behaviour of block copolymer nanocomposites. This review covers recent developments of the time-dependent Ginzburg-Landau/Brownian dynamics scheme. This includes efforts to parallelise the numerical scheme and applications of the model. The validity of the model is studied by comparing simulation and experimental results for isotropic nanoparticles. Extensions to simulate nonspherical and inhomogeneous nanoparticles are discussed and simulation results are discussed. The time-dependent Ginzburg-Landau/Brownian dynamics scheme is shown to be a flexible method which can account for the relatively large system sizes required to study block copolymer nanocomposite systems, while being easily extensible to simulate nonspherical nanoparticles

Hybrid Time-Dependent Ginzburg–Landau Simulations of Block Copolymer Nanocomposites: Nanoparticle Anisotropy

Block copolymer melts are perfect candidates to template the position of colloidal nanoparticles in the nanoscale, on top of their well-known suitability for lithography applications. This is due to their ability to self-assemble into periodic ordered structures, in which nanoparticles can segregate depending on the polymer–particle interactions, size and shape. The resulting coassembled structure can be highly ordered as a combination of both the polymeric and colloidal properties. The time-dependent Ginzburg–Landau model for the block copolymer was combined with Brownian dynamics for nanoparticles, resulting in an efficient mesoscopic model to study the complex behaviour of block copolymer nanocomposites. This review covers recent developments of the time-dependent Ginzburg–Landau/Brownian dynamics scheme. This includes efforts to parallelise the numerical scheme and applications of the model. The validity of the model is studied by comparing simulation and experimental results for isotropic nanoparticles. Extensions to simulate nonspherical and inhomogeneous nanoparticles are discussed and simulation results are discussed. The time-dependent Ginzburg–Landau/Brownian dynamics scheme is shown to be a flexible method which can account for the relatively large system sizes required to study block copolymer nanocomposite systems, while being easily extensible to simulate non-spherical nanoparticles