This article discusses memory tuning strategies for VASP.
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.
This article focuses on debugging strategies for C/C++ codes, but many are applicable to other languages as well.
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.
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.
Pitzer node specifications for CoM dedicated compute are:
This document is obsoleted and kept as a reference to previous Pitzer programming environment. Please refer to here for the latest version.
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.
