Characterization and optimization of network traffic in cortical simulation

Considering the great variety of obstacles the Exascale systems have to face in the next future, a deeper attention will be given in this thesis to the interconnect and the power consumption. The data movement challenge involves the whole hierarchical organization of components in HPC systems — i.e. registers, cache, memory, disks. Running scientific applications needs to provide the most effective methods of data transport among the levels of hierarchy. On current petaflop systems, memory access at all the levels is the limiting factor in almost all applications. This drives the requirement for an interconnect achieving adequate rates of data transfer, or throughput, and reducing time delays, or latency, between the levels. Power consumption is identified as the largest hardware research challenge. The annual power cost to operate the system would be above 2.5 B$ per year for an Exascale system using current technology. The research for alternative power-efficient computing device is mandatory for the procurement of the future HPC systems. In this thesis, a preliminary approach will be offered to the critical process of co-design. Co-desing is defined as the simultaneos design of both hardware and software, to implement a desired function. This process both integrates all components of the Exascale initiative and illuminates the trade-offs that must be made within this complex undertaking

APEnet+: a 3D toroidal network enabling Petaflops scale Lattice QCD simulations on commodity clusters

Many scientific computations need multi-node parallelism for matching up both space (memory) and time (speed) ever-increasing requirements. The use of GPUs as accelerators introduces yet another level of complexity for the programmer and may potentially result in large overheads due to the complex memory hierarchy. Additionally, top-notch problems may easily employ more than a Petaflops of sustained computing power, requiring thousands of GPUs orchestrated with some parallel programming model. Here we describe APEnet+, the new generation of our interconnect, which scales up to tens of thousands of nodes with linear cost, thus improving the price/performance ratio on large clusters. The project target is the development of the Apelink+ host adapter featuring a low latency, high bandwidth direct network, state-of-the-art wire speeds on the links and a PCIe X8 gen2 host interface. It features hardware support for the RDMA programming model and experimental acceleration of GPU networking. A Linux kernel driver, a set of low-level RDMA APIs and an OpenMPI library driver are available, allowing for painless porting of standard applications. Finally, we give an insight of future work and intended developments

Identification of novel human breast carcinoma (MDA-MB-231) Cell growth modulators from a carbohydrate-based diversity oriented synthesis library

The application of a cell-based growth inhibition on a library of skeletally different glycomimetics allowed for the selection of a hexahydro-2H-furo[3,2-b][1,4]oxazine compound as candidate inhibitors of MDA-MB-231 cell growth. Subsequent synthesis of analogue compounds and preliminary biological studies validated the selection of a valuable hit compound with a novel polyhydroxylated structure for the modulation of the breast carcinoma cell cycle mechanism