BOINC Project Research Articles

HEP@home: A Volunteer Computing Project to Run Fast Simulation with Delphes for CEPC

Delphes is a C++ framework to perform a fast multipurpose detector response simulation. The Circular Electron Positron Collider (CEPC) experiment runs fast simulation with a modified Delphes based on its own scientific objectives. The CEPC fast simulation with Delphes is a High Throughput Computing (HTC) application with small input and output files. Besides, to compile and run Delphes, only ROOT software is necessary.Therefore, all these features make it appropriate to run CEPC fast simulation as a Volunteer Computing application. As a result, a BOINC project named HEP@home is developed to run fast simulation with Delphes for CEPC. This paper describes the internal structure of the project, pre and post data operations, and its development status.

Scalable estimator of the diversity for de novo molecular generation resulting in a more robust QM dataset (OD9) and a more efficient molecular optimization

Chemical diversity is one of the key term when dealing with machine learning and molecular generation. This is particularly true for quantum chemical datasets. The composition of which should be done meticulously since the calculation is highly time demanding. Previously we have seen that the most known quantum chemical dataset QM9 lacks chemical diversity. As a consequence, ML models trained on QM9 showed generalizability shortcomings. In this paper we would like to present (i) a fast and generic method to evaluate chemical diversity, (ii) a new quantum chemical dataset of 435k molecules, OD9, that includes QM9 and new molecules generated with a diversity objective, (iii) an analysis of the diversity impact on unconstrained and goal-directed molecular generation on the example of QED optimization. Our innovative approach makes it possible to individually estimate the impact of a solution to the diversity of a set, allowing for effective incremental evaluation. In the first application, we will see how the diversity constraint allows us to generate more than a million of molecules that would efficiently complete the reference datasets. The compounds were calculated with DFT thanks to a collaborative effort through the QuChemPedIA@home BOINC project. With regard to goal-directed molecular generation, getting a high QED score is not complicated, but adding a little diversity can cut the number of calls to the evaluation function by a factor of ten

Extending CERN computing to volunteers - LHC@home consolidation and outlook

LHC@home has provided computing capacity for simulations under BOINC since 2005. Following the introduction of virtualisation with BOINC to run HEP Linux software in a virtual machine on volunteer desktops, initially started on test BOINC projects, like Test4Theory and ATLAS@home, all CERN applications distributed to volunteers have been consolidated under a single LHC@home BOINC project. As part of an effort to unite CERN’s batch, cloud, grid and volunteer computing efforts, the BOINC service has been integrated with the other compute services at CERN, notably HTCondor, in terms job submission and accounting. The paper will also address contributions to improve the BOINC software and community effort to evolve BOINC for a sustainable volunteer computing environment. Furthermore, we discuss future challenges to reduce the effort required by volunteers to run virtual machines for experiment simulations and improvements to BOINC to widen the appeal of volunteer computing.

Backfilling the Grid with Containerized BOINC in the ATLAS computing

Virtualization is a commonly used solution for utilizing the opportunistic computing resources in the HEP field, as it provides a unified software and OS layer that the HEP computing tasks require over the heterogeneous opportunistic computing resources. However there is always performance penalty with virtualization, especially for short jobs which are always the case for volunteer computing tasks, the overhead of virtualization reduces the CPU efficiency of the jobs, hence it leads to low CPU efficiency of the jobs. With the wide usage of containers in HEP computing, we explore the possibility of adopting the container technology into the ATLAS BOINC project, hence we implemented a Native version in BOINC, which uses the Singularity container or direct usage of the Operating System of the host machines to replace VirtualBox. In this paper, we will discuss 1) the implementation and workflow of the Native version in the ATLAS BOINC; 2) the performance measurement of the Native version comparing to the previous virtualization version. 3) the limits and shortcomings of the Native version; 4) The practice and outcome of the Native version which includes using it in backfilling the ATLAS Grid Tier2 sites and other clusters, and to utilize the idle computers from the CERN computing centre.

“XANSONS for COD”: a new small BOINC project in crystallography

Abstract “XANSONS for COD” (http://xansons4cod.com) is a new BOINC project aimed at creating the open-access database of simulated x-ray and neutron powder diffraction patterns for nanocrystalline phase of materials from the collection of the Crystallography Open Database (COD). The project uses original open-source software XaNSoNS to simulate diffraction patterns on CPU and GPU. This paper describes the scientific problem this project solves, the project’s internal structure, its operation principles and organization of the final database.

LHC@Home: a BOINC-based volunteer computing infrastructure for physics studies at CERN

AbstractThe LHC@Home BOINC project has provided computing capacity for numerical simulations to researchers at CERN since 2004, and has since 2011 been expanded with a wider range of applications. The traditional CERN accelerator physics simulation code SixTrack enjoys continuing volunteers support, and thanks to virtualisation a number of applications from the LHC experiment collaborations and particle theory groups have joined the consolidated LHC@Home BOINC project. This paper addresses the challenges related to traditional and virtualized applications in the BOINC environment, and how volunteer computing has been integrated into the overall computing strategy of the laboratory through the consolidated LHC@Home service. Thanks to the computing power provided by volunteers joining LHC@Home, numerous accelerator beam physics studies have been carried out, yielding an improved understanding of charged particle dynamics in the CERN Large Hadron Collider (LHC) and its future upgrades. The main results are highlighted in this paper.

Subdividing Long-Running, Variable-Length Analyses Into Short, Fixed-Length BOINC Workunits

We describe a scheme for subdividing long-running, variable-length analyses into short, fixed-length boinc workunits using phylogenetic analyses as an example. Fixed-length workunits decrease variance in analysis runtime, improve overall system throughput, and make boinc a more useful resource for analyses that require a relatively fast turnaround time, such as the phylogenetic analyses submitted by users of the garli web service at molecularevolution.org. Additionally, we explain why these changes will benefit volunteers who contribute their processing power to boinc projects, such as the Lattice boinc Project (http://boinc.umiacs.umd.edu). Our results, which demonstrate the advantages of relatively short workunits, should be of general interest to anyone who develops and deploys an application on the boinc platform.

SZTAKI Desktop Grid (SZDG): A Flexible and Scalable Desktop Grid System

SZTAKI Desktop Grid (SZDG) is an extension of BOINC in order to make it more flexible, versatile and scalable in terms of enabling the interconnection of different BOINC projects and execution of parameter sweep applications from a generic, high level user interface without the intervention of the BOINC project administrator. The paper describes the main concepts and features of SZDG. Among the many novel features the two most important will be described in detail. First, the paper describes those extensions that enable the easy development and execution of parameter sweep applications on SZDGs. The second part of the paper describes how SZDGs can be organized into a hierarchical interconnection scheme that enables to use SZDGs as building blocks to create higher level SZDGs.