Contract for the supply and installation of a high-performance computational cluster for the theory of nanostructures group at the International Iberian Nanotechnology Laboratory

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High Performance Computational ClusterA High Performance Computational (HPC) Cluster dedicated to scientific problems in Nano electronics Modelling is needed. One of the main erequirements of the cluster will be ab-initio calculations, performed mostly with Vienna Ab Initio Simulation Package (VASP), although other computations, with a very broad range of applications, - such as Eigen problem solvers, sparse matrix solvers, finite element methods, and fast Fourier transforms - will be used on regular basis.Cluster ArchitectureThe cluster should be based on the Beowulf cluster architecture, in which a central node (also called frontend) provides users with a network access to the cluster, and - through a consistent software layer - allows an optimal usage of computing resources located at computing nodes.The cluster should support an extension up to 34 computing nodes.I. Computing NodesThe computing nodes should be divided on two groups:— At least fourteen thin nodes - with standard computational resources dedicated for usual parallel calculations using Message Passing Interface (MPI) protocol,— One fat node - with larger number of processors and RAM memory dedicated for demanding single node calculations.II. NetworkThe computing nodes should be connected with Infinitband FDR low latency network dedicated to MPI workloads, and 10GBps/1Gbps Ethernet-based network dedicated to management and storage access.III. StorageThe user's data should be kept in the storage system consisting of a mix of fast SSD disks, and large capacity SAS disks.IV. BackupCluster should additionally be equipped in a one backup node external SAS disc capable to store user data backups.V. SoftwareThe following software should be installed and optimised on the cluster:— System - CentOS Enterprise or similar distribution of Linux,— PGI Accelerator Fortran/C/C++ Server for Linux (INL is the owner of a licence),— Cluster job scheduler,— Cluster resource manager,— Cluster monitoring system,— OpenMPI,— FFTW libraries,— LAPACK, BLAS, PARPACK and dVegas libraries,— VASP compiled in parallel (OpenMPI) with VASP2WANNIER90 interface in versions:— collinear calculations,— non-collinear calculations (without -DNGXhalf and -DNGZhalf flags).(INL is an owner of the VASP licence)Commercial package (with valid licence) for parallel applications performance optimization and Fortran90, C, and C++ compilers should be installed in a cluster.IV. OtherThe whole cluster must be incorporated into the rack shelf sufficient to support cluster extension min. up to 34 computing nodes.Hardware configuration1 x frontend node- Two Processors— number of Cores 6,— number of Threads 6,— Clock Speed 2.9 GHz,— Max Turbo Frequency 3.4 GHz,— Cache 15 MB,— QPI Speed 7.2 GT/s,— number of QPI Links 2,— Instruction Set 64-bit,— Instruction Set Extensions AVX,— Lithography 32 nm,— Scalability S4S,— Max TDP 130 W,— VID Voltage Range 0.6V-1.35V,- min. 64GB (8x8) GB of RDIMM memory with min. frequency of 1 600 MHz,- Infiniband FDR.,- Ethernet min. 10 Gbps,- redundant power supplies,- min 480 (2x240) GB of SSD disc space in RAID-1,- DVD recorder,- min 32 (2x16) slots of PCI-Express 3.0min. 14 x thin computing nodes- Two Processors— number of Cores 6,— number of Threads 6,— Clock Speed 2.9 GHz,— Max Turbo Frequency 3.4 GHz,— Cache 15 MB,— QPI Speed 7.2 GT/s,— number of QPI Links 2,— Instruction Set 64-bit,— Instruction Set Extensions AVX,— Lithography 32 nm,— Scalability S4S,— Max TDP 130 W,— VID Voltage Range 0.6V-1.35V,- min. 64GB (8x8) GB of RDIMM memory with min. frequency of 1 600 MHz,- Infiniband FDR.- Ethernet 1 Gbps.- redundant power supplies.- min. 120 GB of SSD disc space.1 x fat computing node- four processors— number of Cores 6,— number of Threads 6,— Clock Speed 2.9 GHz,— Max Turbo Frequency 3.4 GHz,— Cache 15 MB,— QPI Speed 7.2 GT/s,— number of QPI Links 2,— Instruction Set 64-bit,— Instruction Set Extensions AVX,— Lithography 32 nm,— Scalability S4S,— Max TDP 130 W,— VID Voltage Range 0.6V-1.35V,- min. 256GB (16x16) GB of RDIMM memory with min. frequency of 1 600 MHz,- Infiniband FDR.,- Ethernet 10 Gbps.,- redundant power supplies,- min. 240 (1x240) GB of SSD disc space,1 x backup node- two processors,— number of Cores 6,— number of Threads 6,— Clock Speed 2.9 GHz,— Max Turbo Frequency 3.4 GHz,— Cache 15 MB,— QPI Speed 7.2 GT/s,— number of QPI Links 2,— Instruction Set 64-bit,— Instruction Set Extensions AVX,— Lithography 32 nm,— Scalability S4S,— Max TDP 130 W,— VID Voltage Range 0.6V-1.35V,- RAM memory 64GB (8 x 8GB) 1 600 MHz RDIMM;- Infiniband FDR.- Ethernet - min. 1Gbps- min. 120 (1x120) GB of SSD disc space in RAID-1;- min. 32 (2x16) slots of PCI-Express 3.1 x data storage system- controller with min. 1GB flash cache- Minimum 24 TB SSD.- Ethernet 10GE.1 x backup storage system- controller with min. 1GB flash cache- minimum 12 TB SAS.- Ethernet 10GE.1 x Infiniband Switch- low latency Infiniband switch with min. 36 FDR ports1 x Ethernet Switch- Ethernet switch with min. 4 x 10Gbps SFP and min. 48 x 1Gbps ports.1 x rack shelf- height 42 U- dimensions 600mm x 1070mm- min. 2 power distribution units (PDU) with min. 32 slots each.- cables, cable guides, fasteners- 1U TFT LCD monitor- Keyboard and Mouse KVM.125 000