HPC2N
High Performance Computing Center North
THIS WORKSHOP HAS BEEN POSTPONED UNTIL OCTOBER. THOSE ALREADY SIGNED UP WILL BE CONTACTED BY SCHRÖDINGER
Schrödinger will be conducting the "Molecular Modelling with Schrödinger Software" workshop on Wednesday, March 29, 2017, at HPC2N, Umeå University, Umeå, Sweden.
The workshop is free of charge, and you register on Schödinger's event page here.
Title: Molecular Modelling with Schrödinger Software
This one day course is an introduction to Computational Chemistry and MD Simulations, with half of the time dedicated to running GROMACS at HPC2N. There will be a hands-on. Bring your own protein/system if you have it, and want help with running it.
Topics that will be covered:
HPC2N and Intel would like to welcome you to a two day course, consisting of training in the following Intel tools: Composer XE, Advisor XE, and VTune Amplifier XE, as well as an overview of using OpenMP 4.
[ HPC2N courses | SeSE courses | NGSSC courses | Tutorials ]
HPC2N offers a range of user training including introductory courses with ready-to-run exercises and courses in basic HPC and parallel programming. Courses are presented at the HPC2N partners and at other places upon request.
Upcoming
Remember to load the SLEPc module (which will include the PETSc module as well).
In this exercise you will solve linear systems in parallel with PETSc. The program lab1.c solves the Poisson equation using the finite-difference method on a square regular grid with n+1 subdivisions on each side. Modify the program so that it computes the residual norm and prints it, together with the number of iterations performed by the solver.
In this exercise you will implement the Scalable Universal Matrix Multiplication Algorithm (SUMMA) [1] to compute the matrix product C = AB; A mxn and B nxp. You will implement the multiplication with m = n = p = dim (it is not much more difficult to implement the general case).
More information will be added about the contents of the lectures!
Week 12
The course focuses on three themes:
For more information see http://sese.nu/high-performance-computing-ii/
One of the lecturers will be Jose Roman, Associate Professor (TU), Universitat Politecnica de Valencia (UPV).
He will lecture on PETSc and SLEPc followed by hands on exercises.
