Software

Cray XE6 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 that there is virtually nothing that stands between the user's scalable application and the hardware.

With the newly released third generation Cray Linux Environment (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, SHMEM, UPC, OpenMP, and Co-Array Fortran within the node
• MPI 2.0 standard, optimized to take advantage of the scalable interconnect in the Cray XE system
• Various MPI libraries supported under Cluster Compatibility Mode
• Optimized C, C++, UPC, Fortran90, and Fortran 2003 compilers
• 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 XE 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