Vasp Simulation Package

Vasp Simulation Package' title='Vasp Simulation Package' />Performance Computer, XC Series Supercomputers. Extreme Scalability and Sustained Performance. Cray has an established reputation for regularly running the biggest jobs on the largest numbers of nodes in the HPC industry. The Cray XC series puts even more focus on solving extreme computational challenges. Cray XC series systems scale hardware, networking and software across a broad performance spectrum to deliver true sustained, real world production performance. Production Ready Arm Based Supercomputingith the addition of Arm based processors, Cray XC5. Compute blades can be mixed and matched with Intel Xeon Scalable processors, Intel Xeon Phi processors and NVIDIA Tesla GPU accelerators. The expanded ecosystem makes HPC more accessible for a wide variety of applications and users. A production Arm based Cray XC5. HPC optimized software stack, including the Cray Linux Environment and Cray Programming Environment, gives researchers, scientists and engineers complete access to libraries and tools optimized for running complex HPC workloads. Aries Interconnect and Dragonfly Topology. To provide this breakthrough performance and scalability, Cray XC series supercomputers integrate the HPC optimized Aries interconnect. Psa Xs Evolution Driver. This innovative network technology, implemented with a high bandwidth, low diameter topology called Dragonfly, provides substantial improvements on all of the network performance metrics for HPC bandwidth, latency, message rate and more. Delivering global bandwidth scalability at reasonable cost across a distributed memory system, this network gives programmers global access to all of the memory of parallel applications and supports the most demanding global communication patterns. N446rQm.jpg' alt='Vasp Simulation Package' title='Vasp Simulation Package' />The open architecture of the Cray XC series offers intranode flexibility, empowering users to run applications with either scalar or accelerator processing elements depending on their requirements for parallelism. Cray XC series systems exploit a Dragonfly network topology constructed from a configurable mix of backplane, copper and optical links providing scalable global bandwidth, avoiding expensive external switches and enabling easy in place processor upgrades. Cray XC air cooled systems utilize backplane and copper cabling only to reduce costs for simulation, test, development, analytics and AI environments. Depending on whether a cabinet is air or liquid cooled, each cabinet can be populated with up to three chassis one for air cooled systems, culminating in up to 3. The Aries ASIC provides the network interconnect for compute nodes on Cray XC series base blades and implements a standard PCI Express Gen. HPC processing compute engines. The universal nature of Cray XC series open architecture allows the system to be configured with the best available devices today, then augmented or upgraded in the future with the users choice of processors, coprocessors and accelerators using processor daughter cards. Atomic Simulation Environment The Atomic Simulation Environment ASE is a set of tools and Python modules for setting up, manipulating, running, visualizing and. Crays supercomputing and life science solutions enable organizations to complete research with no boundaries. Discover our technology and solutions here. VASP, The Vienna Ab initio simulation package, a plane wave electronic structure code. Intel Xeon and Intel Xeon Phi Processors. For Intel processor support, Cray XC series compute blades come in a variety of configurations. Intel Xeon Phi and Intel Xeon Scalable processors are packaged in a dual socket node configuration, with four nodes supported in each system blade. The Intel Xeon Scalable processors provide more than 1. Cray XC liquid cooled cabinet, and 2. Cray XC air cooled cabinet. Intel Xeon Phi processors are packed in a single socket node configuration, with four nodes supported in each system blade, providing up to 5. TFcabinet of peak performance. NVIDIA Tesla GPU Accelerators. Cray XC series supercomputers support CPU hosted NVIDIA Tesla GPU accelerators. Two options are available the NVIDIA Tesla K4. XC4. 0 system and the NVIDIA Tesla P1. PCIe for the Cray XC5. NVIDIAs P1. 00 GPU accelerator delivers over 3,5. The P1. 00 offers flexible double precision, single precision or half precision compute operation and also integrates high bandwidth memory into the package, enabling up to 3x memory bandwidth improvements over prior generation external memory GPU solutions. The Cray XC5. 0 system with the Tesla P1. Cray also supports multiple programming models for the P1. GPU accelerator, including the Cray compiler, Open. ACC directives based coding and CUDA. Arm Based Processors. Cray XC series supercomputers support Cavium Thunder. X2 processors. With 1. DDR4 DIMMs per node, users can access up to 5. GB per node at up to 2. GBs, addressing a common performance bottleneck in high performance computing workloads. The Thunder. X2 processor is supported by Crays complete HPC optimized software stack including the Cray Linux Environment and premium programming environment. The enhanced Cray compiler and programming environment improve the performance of the Cavium Thunder. Devexpress Dll Files there. X2 processors. Custom and ISV Jobs on the Same System Extreme Scale and Cluster Compatibility. Based on generations of experience with both environments, Cray has leveraged a single machine architecture to run both highly scalable custom workloads as well as industry standard ISV jobs via the powerful Cray Linux Environment CLE. CLE enables a Cluster Compatibility Mode CCM to run Linuxx. ISV software without any requirement for porting, recompiling or relinking. Alternatively, Crays Extreme Scalability Mode ESM can be set to run in a performance optimized scenario for custom codes. These flexible and optimized operation modes are dynamic and available to the user on an individual job basis. ROI, Upgradeability and Investment Protection. Besides being customizable for each users requirements, the Cray XC series supercomputer architecture is engineered for easy, flexible upgrades and expansion, a benefit that prolongs its productive lifetime and the users investment. As new technology advancements become available, users can take advantage of these next generation progressions deep into the life cycle before ever considering replacing an HPC system.