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Owens, Pitzer

This article discusses memory tuning strategies for VASP.

Data Distribution

Typically the first approach for memory sensitive VASP issues is to tweak the data distribution (via NCORE or NPAR). The information at https://www.vasp.at/wiki/index.php/NPAR covers a variety of machines. OSC has fast communications via Infiniband. 

Owens, Pitzer

This article focuses on debugging strategies for C/C++ codes, but many are applicable to other languages as well.

Rubber Duck Debugging

This approach is a great starting point. Say you have written some code, and it does not do what you expect it to do. You have stared at it for a few minutes, but you cannot seem to spot the problem.

Pitzer

OSC has entered an agreement with OSU College of Medicine (CoM) to provide dedicated compute services. Researchers from CoM will have access to Pitzer cluster, whose hardware is described below.  

Hardware

Pitzer node specifications for CoM dedicated compute are:

Pitzer

This document is obsoleted and kept as a reference to previous Pitzer programming environment. Please refer to here for the latest version.

Pitzer

In late 2018, OSC installed 260 Intel® Xeon® 'Skylake' processor-based nodes as the original Pitzer cluster. In September 2020, OSC installed additional 398 Intel® Xeon® 'Cascade Lake' processor-based nodes as part of a Pitzer Expansion cluster.

SUG Conference - April 14, 2022

Agenda

Owens, Pitzer

This page documents the known issues for migrating jobs from Torque to Slurm.

$PBS_NODEFILE and $SLURM_JOB_NODELIST

Please be aware that $PBS_NODEFILE is a file while $SLURM_JOB_NODELIST is a string variable. 

The analog on Slurm to cat $PBS_NODEFILE is srun hostname | sort -n 

Owens, Pitzer

How to Submit Interactive jobs

There are different ways to submit interactive jobs.

Using qsub

qsub command is patched locally to handle the interactive jobs. So mostly you can use the qsub command as before:

Using ngbrader in Jupyter

Install nbgrader

You can install nbgrader in a notebook:

OSC provide an isolated and custom Jupyter environment for each classroom project that requires Jupyter Notebook or JupyterLab. 

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