“The current versions of the codes use MPI and depend on finer and finer meshes for higher accuracy which are computationally demanding. To overcome the demands, the team has gained access to their state-of-the-art cluster equipped with POWER CPUs and Tesla P100 GPUs — and turning to OpenACC and machine learning to accelerate their science. This has allowed them to spend the least resources on programming, and effectively utilize available compute resources.”
A team of researchers at Berkeley Lab, PNNL, and Intel are working hard to make sure that computational chemists are prepared to compute efficiently on next-generation exascale machines. Recently, they achieved a milestone, successfully adding thread-level parallelism on top of MPI-level parallelism in the planewave density functional theory method within the popular software suite NWChem. “Planewave codes are useful for solution chemistry and materials science; they allow us to look at the structure, coordination, reactions and thermodynamics of complex dynamical chemical processes in solutions and on surfaces.”
In this podcast, the Radio Free HPC team looks at some the top High Performance Computing stories from this week. First up, we look at Europe’s effort to lead HPC in the next decade. After that, we look at why small companies like Scalable Informatics have such a hard time surviving in the HPC marketplace.
Registration is open for the 33rd International Conference on Massive Storage Systems and Technology (MSST 2017.) The event takes place May 15-19 in Santa Clara, California. “Since the conference was founded by the leading national laboratories, MSST has been a venue for massive-scale storage system designers and implementers, storage architects, researchers, and vendors to share best practices and discuss building and securing the world’s largest storage systems for high-performance computing, web-scale systems, and enterprises.”
“deal.II — a name that originally meant to indicate that it is the successor to the Differential Equations Analysis Library — is a C++ program library targeted at the computational solution of partial differential equations using adaptive finite elements. It uses state-of-the-art programming techniques to offer you a modern interface to the complex data structures and algorithms required.”
Today Huawei an agreement with the Institute of Technology and Renewable Energy (ITER) to provide HPC services on Tenerife, one of the Spanish-controlled Canary Islands off the west coast of Africa. “The agreement established the collaboration between ITER and Huawei to jointly develop the capacity in super-computation, smart technology, big data applications and analysis applications, in which we have made important progress,” said Carlos Antonio Rodriguez, president of the local Administrative Council that runs ITER.
“The SCC reproducibility program is part of a wider effort to encourage authors submitting papers to the conference to voluntarily complete an appendix to their paper that described the details of their software environment and computational experiments to the extent that an independent person could replicate their results.”
Berkeley Lab researchers have developed the first 3-D atomic-scale model of P22 virus that identifies the protein interactions crucial for its stability. “This is a great example of how to exploit electron microscopy technology and combine it with new computational methods to determine a bacteriophage’s structure,” said Paul Adams, Berkeley Lab’s Molecular Biophysics & Integrated Bioimaging division director and a co-author of the paper. “We developed the algorithms—the computational code—to optimize the atomic model so that it best fit the experimental data.”
Embry-Riddle Aeronautical University in Daytona Beach is seeking a High Performance Computing System Administrator in our Job of the Week. “The HPC Specialist is responsible for technical systems management, administration, and support for the high-performance computing (HPC) cluster environments. This includes all configuration, authentication, networking, storage, interconnect, and software usage & installation of HPC Clusters. The position is highly technical and directly impacts the daily operational functions of the above environments.”
“Intel sees the huge potential in AI and are moving mountains to take full advantage of it,” said Patrick Moorhead from Moor Insights & Strategy. “They have acquired Altera, Nervana Systems and other IP, need to connect to their home-grown IP and now it’s time to accelerate the delivery of it. That’s where today’s organization comes in play, a centralized organization, reporting directly to CEO Brian Krzanich, to make that happen. This is classic organizational strategy, accelerating delivery by organizing a cross-product group directly reporting to the CEO.”