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Contact me about the new Cray XC40 Supercomputer

Software for Cray® XC™ Series Supercomputers

Cray® XC40™ systems utilize the Cray Linux® Environment (CLE). CLE is a suite of high performance software that includes a Linux-based operating system designed to run large complex applications and scale efficiently to more than 500,000 processor cores. The Linux environment features a compute kernel that can be configured to match different workloads. When running highly scalable custom applications, the compute nodes can be run in a lightweight mode, ensuring that operating system services do not interfere with application scalability. This special design ensures virtually nothing stands between the user's scalable application and the hardware.

Cray Linux Environment

With CLE many independent software vendor (ISV) applications are available "out of the box" under Cluster Compatibility Mode (CCM). In addition, selected ISV applications are highly tuned and available under Extreme Scalability Mode (ESM).

Cray Linux Environment

Programming Environment

The CLE programming environment includes tools designed to complement and enhance each other, resulting in a rich, easy-to-use programming environment that facilitates the development of scalable applications.

  • Parallel programming models: MPI, Cray SHMEM, UPC, OpenMP and Co-Array Fortran within the node
  • MPI 2.0 standard, optimized to take advantage of the scalable interconnect in Cray XC40 systems
  • Various MPI libraries supported under Cluster Compatibility Mode
  • Support for the ISO Fortran standard (2008) including parallel programming using coarrays, C/C++ and UPC
  • High performance optimized math libraries of BLAS, FFTs, LAPACK, ScaLAPACK, SuperLU and Cray scientific libraries
  • Cray Performance Tool Suite with CrayPAT™ and Cray Apprentice2™


Cray is a joint founding member of OpenACC, an organization that is driving a new directives-based open parallel programming standard enabling scientific and technical programmers to more easily leverage the performance optimization capabilities of hybrid CPU/GPU computing systems. Learn more by visiting

OpenACC V2.0 Reference Guide

The OpenACC® API 2.0



Is OpenACC right for your Code?

What Parts of My Code Are Right for Accelerators?

Case Study – COSMO Atmospheric Model with OpenACC

COSMO Dynamics and Physics Modules Are Accelerated as a Part of HP2C Initiative Using OpenACC

Case Study Applying OpenACC to the CloverLeaf Hydrodynamics Mini-App

Applying OpenACC to the CloverLeaf Hydrodynamics Mini-App


Cray Hardware Supervisory System (HSS) — system monitoring, fault identification, and recovery

Typical Applications Available Under ESM

A few of the HPC industry applications that may be run on Cray XC systems include:

  • Astrophysics: Cactus, Chimera, Gadget, QCD-Milc, ZEUS-MP
  • Chemistry/Materials: ABINIT, AMBER, CPMD, DCA++, GAMESS, Gromacs, LAMMPS, LS3DF, LSMS, Madness, NWCHEM, PARATEC, Qbox, Quantum Espresso, Siesta, TBMD, VASP
  • Climate/Weather: 4DVAR, CAM, CCSM, HIRLAM, HYCOM, MM5, POP, WRF
  • Fluid Mechanics/Combustion: AcuSolve, DNS, OpenFOAM, Overflow, PFLOTRAN, S3D
  • Fusion: Aorsa, GTC
  • Solid Mechanics: CTH, LS-DYNA