Unified Code Generation for the Parallel Computation of Pairwise Interactions using Partial Evaluation

Beitrag bei einer Tagung
(Konferenzbeitrag)


Details zur Publikation

Autor(en): Schmitt J, Köstler H, Eitzinger J, Membarth R
Herausgeber: IEEE
Jahr der Veröffentlichung: 2018
Tagungsband: Proceedings of the 17th International Symposium on Parallel and Distributed Computing (ISPDC)
Seitenbereich: 17-24
ISBN: 978-1-5386-5330-2
Sprache: Englisch


Abstract

The evaluation of pairwise interactions is fundamental for the
simulation of most molecular processes. Their efficient computation is
therefore crucial for the overall performance of these simulations on
modern computer architectures. We show how code for the computation of
pairwise interactions on parallel and heterogeneous platforms can be
generated from a unified base through partial evaluation of higher-order
functions. For this purpose we introduce a complete implementation of
the neighbor list algorithm based on the AnyDSL framework, from which we
are able to generate executables for both CPU and GPU through
compile-time specialization. Furthermore, we discuss the advantages and
disadvantages of our approach and compare it with the miniMD simulation
package from the Mantevo project, which is implemented in the C++
programming language and uses a similar computational core as the widely
used molecular dynamics package LAMMPS. Finally, we assess the
performance of our implementation in a number of test cases on modern
CPU and GPU hardware.


FAU-Autoren / FAU-Herausgeber

Eitzinger, Jan Dr.
Regionales Rechenzentrum Erlangen (RRZE)
Köstler, Harald PD Dr.
Lehrstuhl für Informatik 10 (Systemsimulation)
Schmitt, Jonas
Lehrstuhl für Informatik 10 (Systemsimulation)


Autor(en) der externen Einrichtung(en)
Universität des Saarlandes (UdS)


Zitierweisen

APA:
Schmitt, J., Köstler, H., Eitzinger, J., & Membarth, R. (2018). Unified Code Generation for the Parallel Computation of Pairwise Interactions using Partial Evaluation. In IEEE (Eds.), Proceedings of the 17th International Symposium on Parallel and Distributed Computing (ISPDC) (pp. 17-24). Geneva, CH.

MLA:
Schmitt, Jonas, et al. "Unified Code Generation for the Parallel Computation of Pairwise Interactions using Partial Evaluation." Proceedings of the 17th International Symposium on Parallel and Distributed Computing (ISPDC), Geneva Ed. IEEE, 2018. 17-24.

BibTeX: 

Zuletzt aktualisiert 2018-04-09 um 11:23