Software for the Cray XC30 System

Cray XC30 systems utilize the Cray Linux Environment™ (CLE). CLE is a suite of high performance software which 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 which 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.

With CLE many 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).

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 XC30 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 Scientiific Libraries
• Cray Performance Tool Suite with CrayPAT and Cray Apprentice2

Administration

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

Some Example Applications Available Under ESM

The following is a partial list of HPC industry applications that may be run on Cray XC30 systems.

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 - DNS, OpenFOAM, Overflow, PFLOTRAN, S3D

Fusion - Aorsa, GTC

Solid Mechanics - CTH, LS-DYNA