Optimized collective operations are a crucial performance factor for many scientific applications. This work investigates the design and optimization of collectives in the context of Partitioned Global Address Space (PGAS) languages such as Unified Parallel C (UPC). Languages with one-sided communication permit a more flexible and expressive collective interface with application code, in turn enabling more aggressive optimization and more effective utilization of system resources. We investigate the design tradeoffs in a collectives implementation for UPC, ranging from resource management to synchronization mechanisms and target-dependent selection of optimal communication patterns. Our collectives are implemented in the Berkeley UPC compiler using the GASNet communication system, tuned across a wide variety of supercomputing platforms, and benchmarked against MPI collectives. Special emphasis is placed on the newly added Cray XT3 backend for UPC, whose characteristics are benchmarked in detail.

We describe Miranda, a massively parallel spectral/compact solver for variabledensity incompressible flow, including viscosity and species diffusivity effects. Miranda utilizes FFTs and band-diagonal matrix solvers to compute spatial derivatives to at least 10th-order accuracy. We have successfully ported this communicationintensive application to BlueGene/L and have explored both direct block parallel and transpose-based parallelization strategies for its implicit solvers. We have discovered a mapping strategy which results in virtually perfect scaling of the transpose method up to 65,536 processors of the BlueGene/L machine. Sustained global communication rates in Miranda typically run at 85% of the theoretical peak speed of the BlueGene/L torus network, while sustained communication plus computation speeds reach 2.76 TeraFLOPS. This effort represents the first time that a high-order variable-density incompressible flow solver with species diffusion has demonstrated sustained performance in the TeraFLOPS range.