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Summer school and workshop on parallel computing funded by ECP, MolSSI and others - Summer school materials

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Summer-School-Materials

Wifi connection: eduroam is available, otherwise connect to SSID WolfieNet-Guest

Schedule and home page: https://sites.google.com/lbl.gov/parcompmolsci/home

Clone this repo using:

    git clone https://github.com/wadejong/Summer-School-Materials.git

We will be using the Seawulf cluster at IACS/SBU:

The login nodes (Intel Haswell processor) of Seawulf can be accessed using ssh

    ssh <username>@login.seawulf.stonybrook.edu

but this can be rather busy and is not a very recent CPU. So, we will also be using sn-mem which is a 72-core machine with Intel Skylake processors, 1 NVIDIA P100, and 1.5 TB of memory. This is also accessible from outside the cluster

    ssh <username>@sn-mem.seawulf.stonybrook.edu

All other Seawulf nodes are only accessible after you have logged into either the login or sn-mem nodes.

On Seawulf, software is managed using modules and we will be using several different compilers and tools. Each time you login please source the appropriate module file (look inside if you want see what is going on) --- pick one of the following:

    source /gpfs/projects/molssi/modules-gnu
    source /gpfs/projects/molssi/modules-intel
    source /gpfs/projects/molssi/modules-cuda

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