Parallel Excluded Volume Tempering for Polymer Melts

We have developed a technique to accelerate the acquisition of effectively uncorrelated configurations for off-lattice models of dense polymer melts which makes use of both parallel tempering and large scale Monte Carlo moves. The method is based upon simulating a set of systems in parallel, each of which has a slightly different repulsive core potential, such that a thermodynamic path from full excluded volume to an ideal gas of random walks is generated. While each system is run with standard stochastic dynamics, resulting in an NVT ensemble, we implement the parallel tempering through stochastic swaps between the configurations of adjacent potentials, and the large scale Monte Carlo moves through attempted pivot and translation moves which reach a realistic acceptance probability as the limit of the ideal gas of random walks is approached. Compared to pure stochastic dynamics, this results in an increased efficiency even for a system of chains as short as $N = 60$ monomers, however at this chain length the large scale Monte Carlo moves were ineffective. For even longer chains the speedup becomes substantial, as observed from preliminary data for $N = 200$

GeantV: Results from the prototype of concurrent vector particle transport simulation in HEP

Full detector simulation was among the largest CPU consumer in all CERN experiment software stacks for the first two runs of the Large Hadron Collider (LHC). In the early 2010's, the projections were that simulation demands would scale linearly with luminosity increase, compensated only partially by an increase of computing resources. The extension of fast simulation approaches to more use cases, covering a larger fraction of the simulation budget, is only part of the solution due to intrinsic precision limitations. The remainder corresponds to speeding-up the simulation software by several factors, which is out of reach using simple optimizations on the current code base. In this context, the GeantV R&D project was launched, aiming to redesign the legacy particle transport codes in order to make them benefit from fine-grained parallelism features such as vectorization, but also from increased code and data locality. This paper presents extensively the results and achievements of this R&D, as well as the conclusions and lessons learnt from the beta prototype.Comment: 34 pages, 26 figures, 24 table

A Fast Causal Profiler for Task Parallel Programs

This paper proposes TASKPROF, a profiler that identifies parallelism bottlenecks in task parallel programs. It leverages the structure of a task parallel execution to perform fine-grained attribution of work to various parts of the program. TASKPROF's use of hardware performance counters to perform fine-grained measurements minimizes perturbation. TASKPROF's profile execution runs in parallel using multi-cores. TASKPROF's causal profile enables users to estimate improvements in parallelism when a region of code is optimized even when concrete optimizations are not yet known. We have used TASKPROF to isolate parallelism bottlenecks in twenty three applications that use the Intel Threading Building Blocks library. We have designed parallelization techniques in five applications to in- crease parallelism by an order of magnitude using TASKPROF. Our user study indicates that developers are able to isolate performance bottlenecks with ease using TASKPROF.Comment: 11 page