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DTSTAMP:20260619T100627Z
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DTSTART:20240124T083000Z
DTEND:20240125T133000Z
DESCRIPTION:This course gives practical tips on how to run GROMACS simulati
 ons efficiently on LUMI-G i.e. on AMD GPUs. The attendees will learn how t
 o assess and tune GROMACS performance.  In addition the course provides a
 n overview on LUMI architecture\, GROMACS heterogeneous parallelization\, 
 with a special attention to AMD GPU. The event is organized in collaborat
 ion with BioExcel\, CSC and PDC Where and when online\, Wednesday 24th-Th
 ursday 25th January  Learning outcomeAfter the course the participants s
 hould have the skills and knowledge needed to 1) efficiently use GPU resou
 rces in GROMACS simulations 2) tune and assess GROMACS performance.  Tar
 get participants:  These sessions are aimed at GROMACS user on HPC cluste
 rs interested in:1) running efficiently GROMACS simulation on LUMI-G2) Und
 erstanding how to tune and to assess GROMACS performance Prerequisites: T
 he participants are required to be familiar with  molecular dynamics sim
 ulation and have working knowledge of GROMACS. Note: The fundamentals of m
 olecular dynamics simulation or basic usage of GROMACS are not covered in 
 this course.to have experience in basic Linux/Unix skills\, understand bas
 ic batch scripts and hands-on experience in using HPC systems. Ability to 
 use the command line: navigate files and directories through shell command
 s\, create/move/delete files and directories\, construct command pipeline
 s\, edit/run shell scripts\, use basic Slurm commands\, submit job in a qu
 eue\, find further help about the scheduler. To have awareness of differe
 nces between hardware components (i.e. GPU vs CPU\, memory and storage) P
 lease consult the following materials\, if you're uncertain of your Linux 
 or GROMACS skills:Lectures on the basis of molecular dynamics simulation (
 videolinks: part I\, part II)MD with GROMACS tutorials (link)Linux command
 s\, bash shell\, a quiz and a link to intro courseIntroduction to HPC syst
 em (link) The training includes two online sessions and participants are 
 expected to attend both of them:Wednesday 24th January 2024 from 9:30 to 1
 4:30 CETThursday 25th January 2024 from 9:30 to 14:30 CETEach session cons
 ists of lectures and hands-on exercises. GROMACS will be used in the exerc
 ise sessions. LUMI supercomputer will be used for the hands-on exercises. 
 You need to apply for a user account\, but we’ll provide the project and
  resources.Topics: LUMI architecture GROMACS heterogeneous parallelizati
 onAMD GPU support in GROMACSAssessing and tuning performance of GROMACS si
 mulations Lecturers: Szilárd Páll (KTH\, Royal Institute of Technology
 )Andrey Alekseenko (KTH\, Royal Institute of Technology) Rasmus Kronberg 
 (CSC)  Trainers that will help in hands-on: Alessandra Villa (KTH\, Roy
 al Institute of Technology)Cathrine Bergh (KTH\, Royal Institute of Techno
 logy)Xavier Prasanna Antohony Raj (CSC) Number of participants/Registrant
  capacity :  40  + an additional seat for a member from each LUMI consor
 tium country NCC or Local Organization in order to strengthen supporting l
 ocal users in each country. Note\, participation is limited to EuroHPC JU 
 member states.Registration includes a brief explanation on:Name and affili
 ationHow you meet the prerequisites for the courseWhat is your motivation 
 to participate in the courseIf you already have project or user account on
  LUMI Deadline for registration: 7th January 2024  Selection: participa
 nts will be selected to maximise benefit by evaluating the match between c
 ontent\, motivation and current skills. Moreover geographical coverage and
  gender balance will be considered. Those with access to LUMI will be prio
 ritized. Applications will be evaluated regularly and it is possible the w
 orkshop will fill up before the deadline. Technical requirements: To part
 icipate in the online interactive sessions:We recommend using the Zoom des
 ktop app.A microphone and (ideally) a webcam. Two screens are handy
SUMMARY:How to run GROMACS efficiently on LUMI supercomputer
URL;VALUE=URI:https://ssl.eventilla.com/event/9kE5z
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