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This tutorial by the [Molecular Sciences Software Institute]({{ site.molssi_site }}) (MolSSI) overviews the fundamentals of heterogeneous parallel programming with CUDA C/C++ at the beginner level.

The MolSSI's full education mission statement can be found here.

Prerequisites

  • Previous knowledge of High-performance Computing (HPC) basic concepts are helpful but not required for starting this course. Nevertheless, we encourage students to take a glance at our Parallel Programming tutorial, specifically, Chapters 1, 2 and 5 for a brief overview of some of the fundamental concepts in HPC.
  • Basic familiarity with Bash, C and C++ programming languages is required. {: .prereq}

Software/Hardware Specifications {#sh-specifications}

The following NVIDIA CUDA-enabled GPU devices have been used throughout this tutorial:

  • Device 0: GeForce GTX 1650 with Turing architecture (Compute Capability = 7.5)
  • Device 1: GeForce GT 740M with Kepler architecture (Compute Capability = 3.5)

Linux 18.04 (Bionic Beaver) OS is the target platform for CUDA Toolkit v11.2.0 on the two host machines armed with devices 0 and 1. {: .callout}

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