A Task-based Execution Model for Coupled Cluster Methods
نویسنده
چکیده
Computational chemistry, aiming to simulate non-trivial physical systems, imposes such high demands on the performance of software and hardware, that it comprises one of the driving forces of High Performance Computing. In particular, many-body systems, such as those simulated by the Coupled Cluster (CC) methods of the Quantum Chemistry package NWChem [4] are both computationally intensive and of interest to the Computational Chemistry community.
منابع مشابه
Investigation on Reliability Estimation of Loosely Coupled Software as a Service Execution Using Clustered and Non-Clustered Web Server
Evaluating the reliability of loosely coupled Software as a Service through the paradigm of a cluster-based and non-cluster-based web server is considered to be an important attribute for the service delivery and execution. We proposed a novel method for measuring the reliability of Software as a Service execution through load testing. The fault count of the model against the stresses of users ...
متن کاملSoccer Goalkeeper Task Modeling and Analysis by Petri Nets
In a robotic soccer team, goalkeeper is an important challenging role, which has different characteristics from the other teammates. This paper proposes a new learning-based behavior model for a soccer goalkeeper robot by using Petri nets. The model focuses on modeling and analyzing, both qualitatively and quantitatively, for the goalkeeper role so that we have a model-based knowledge of the ta...
متن کاملAn Effective Task Scheduling Framework for Cloud Computing using NSGA-II
Cloud computing is a model for convenient on-demand user’s access to changeable and configurable computing resources such as networks, servers, storage, applications, and services with minimal management of resources and service provider interaction. Task scheduling is regarded as a fundamental issue in cloud computing which aims at distributing the load on the different resources of a distribu...
متن کاملUtilizing dataflow-based execution for coupled cluster methods
Computational chemistry comprises one of the driving forces of High Performance Computing. In particular, many-body methods, such as Coupled Cluster (CC) methods of the quantum chemistry package NWCHEM, are of particular interest for the applied chemistry community. Harnessing large fractions of the processing power of modern large scale computing platforms has become increasingly difficult. Wi...
متن کاملAccelerating NWChem Coupled Cluster Through Dataflow-Based Execution
Numerical techniques used for describing many-body systems, such as the Coupled Cluster methods (CC) of the quantum chemistry package NWCHEM, are of extreme interest to the computational chemistry community in fields such as catalytic reactions, solar energy, and bio-mass conversion. In spite of their importance, many of these computationally intensive algorithms have traditionally been thought...
متن کامل