BEGIN:VCALENDAR
VERSION:2.0
PRODID:Linklings LLC
BEGIN:VTIMEZONE
TZID:America/Chicago
X-LIC-LOCATION:America/Chicago
BEGIN:DAYLIGHT
TZOFFSETFROM:-0600
TZOFFSETTO:-0500
TZNAME:CDT
DTSTART:19700308T020000
RRULE:FREQ=YEARLY;BYMONTH=3;BYDAY=2SU
END:DAYLIGHT
BEGIN:STANDARD
TZOFFSETFROM:-0500
TZOFFSETTO:-0600
TZNAME:CST
DTSTART:19701101T020000
RRULE:FREQ=YEARLY;BYMONTH=11;BYDAY=1SU
END:STANDARD
END:VTIMEZONE
BEGIN:VEVENT
DTSTAMP:20260202T201257Z
LOCATION:Second Floor Atrium
DTSTART;TZID=America/Chicago:20251121T080000
DTEND;TZID=America/Chicago:20251121T120000
UID:submissions.supercomputing.org_SC25_sess620_post156@linklings.com
SUMMARY:Tensor Core Accelerated Fast Multipole Method for GROMACS
DESCRIPTION:Jiamian Huang (Institute of Science Tokyo), Muhammad Umair Sad
 iq (KTH Royal Institute of Technology), Rio Yokota (Institute of Science T
 okyo), and Berk Hess (KTH Royal Institute of Technology)\n\nThe evaluation
  of long-range pairwise electrostatic forces is the most computationally i
 ntensive component of molecular dynamics (MD) simulations. The fast multip
 ole method (FMM) is an alternative to reduce the computational complexity.
  In this work, we implemented a hybrid parallel FMM with MPI and GPU accel
 eration. We further utilized the Tensor Core to accelerate the expensive m
 ultipole-to-local (M2L) kernel, and optimized the M2L kernel by reducing r
 edundant computation. Meanwhile, we integrated our FMM into GROMACS. The e
 xperimental results show that the use of Tensor Core improves the performa
 nce of the M2L kernel, and our FMM implementation, integrated with GROMACS
 , is effective.\n\nTag: Research & ACM SRC Posters\n\nRegistration Categor
 y: Technical Program Reg Pass\n\nSession Chairs: Kento Sato (RIKEN Center 
 for Computational Science (R-CCS)); Anja Gerbes (Georg-August-Universität 
 Göttingen); and Chris Schlipalius (Pawsey Supercomputing Research Centre; 
 Commonwealth Scientific and Industrial Research Organisation (CSIRO), Aust
 ralia)\n\n
END:VEVENT
END:VCALENDAR