BEGIN:VCALENDAR
VERSION:2.0
PRODID:-//Talks.cam//talks.cam.ac.uk//
X-WR-CALNAME:Talks.cam
BEGIN:VEVENT
SUMMARY:MPI in TROVE: calculating high temperature line lists for large po
 lyatomic molecules - Arjen Tamerus\, UIS\, University of Cambridge
DTSTART:20191016T120000Z
DTEND:20191016T130000Z
UID:TALK131254@talks.cam.ac.uk
CONTACT:Jeffrey Salmond
DESCRIPTION:TROVE is used to calculate high-temperature spectral line list
 s for large\, polyatomic molecules. It was originally designed for large s
 hared-memory supercomputers\, but due to the exponential growth of problem
  sizes for bigger molecules these systems are no longer sufficient\, espec
 ially in terms of available memory. In this talk I will demonstrate how I 
 ported the code to MPI to make use of scalable commodity-hardware clusters
 \, making larger simulations possible and simultaneously reducing time-to-
 science through significantly improved performance.
LOCATION:JJ Thomson Seminar Room\, Maxwell Centre\, Cavendish Laboratory
END:VEVENT
END:VCALENDAR