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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Generic and ML Workloads in an HPC Datacenter: Node Energy, Job Failures, and Node-Job Analysis

HPC datacenters offer a backbone to the modern digital society. Increasingly, they run Machine Learning (ML) jobs next to generic, compute-intensive workloads, supporting science, business, and other decision-making processes. However, understanding how ML jobs impact the operation of HPC datacenters, relative to generic jobs, remains desirable but understudied. In this work, we leverage long-term operational data, collected from a national-scale production HPC datacenter, and statistically compare how ML and generic jobs can impact the performance, failures, resource utilization, and energy consumption of HPC datacenters. Our study provides key insights, e.g., ML-related power usage causes GPU nodes to run into temperature limitations, median/mean runtime and failure rates are higher for ML jobs than for generic jobs, both ML and generic jobs exhibit highly variable arrival processes and resource demands, significant amounts of energy are spent on unsuccessfully terminating jobs, and concurrent jobs tend to terminate in the same state. We open-source our cleaned-up data traces on Zenodo (https://doi. org/10.5281/zenodo.13685426), and provide our analysis toolkit as software hosted on GitHub (https://github.com/atlarge-research/2024-icpads-hpc-workload-characterization). This study offers multiple benefits for data center administrators, who can improve operational efficiency, and for researchers, who can further improve system designs, scheduling techniques, etc.

crossanalysis↗
DOE OSTI2016

Selective O 2 Sorption at Ambient Temperatures via Node Distortions in Sc-MIL-100

An open pored metal–organic framework (MOF) with oxygen selectivity at exceptionally high temperatures is confirmed by synthesis, sorption, and synchrotron structural analyses. The large-pore MIL-100 framework with access to the metal center (e.g., Sc and Fe) resulted in preferential O2 over N2 gas uptake at temperatures ranging from 77 K to ambient temperatures (258, 298, and 313 K). Most notably, Sc-MIL-100 shows exceptional O2 sorption; pair distribution function analyses indicate that this is due to distortions in the framework owing to the size of Sc atoms, in particular in the trimer metal cluster. Experimental studies also correlate very well with GCMC simulations, confirming more favorable O2-framework interactions at pressures up to 1 bar, due to the close proximity of O2 to the high density of metal centers in the small tetrahedral cages. Both materials maintain their crystallinity upon gas adsorption cycling, are regenerable, and show exceptional promise for use in energy efficient oxygen purification processes, such as Pressure Swing Adsorption.

Sava Gallis, Dorina F.↗
DOE OSTI2014

A fixed-node Diffusion Monte Carlo study of the 1,2,3-tridehydrobenzene triradical

The electronic structure of 1,2,3-tridehydrobenzene was investigated using quantum Monte Carlo methods. The radical contains two low-lying electronic states that are nearly degenerate adiabatically (within 2 kcal/mol separation), according to previous coupled cluster calculations. We performed Diffusion Monte Carlo (DMC) calculations starting from Multi-Reference Configuration Interaction (MRCI) trial wavefunctions, with a complete active space (CAS) containing 9 electrons in 9 orbitals, CAS(9,9). Our converged DMC results are in close agreement with the best coupled-cluster results, and further strengthen the assignment of a {sup 2}A{sub 1} ground state.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2012

Specific heat to H c⁢2 : Evidence for nodes or deep minima in the superconducting gap of underdoped and overdoped Ba(Fe 1–$x$ Co $x$ ) 2 As 2

Low-temperature specific heat, C, in magnetic fields up to Hc2 is reported for underdoped Ba(Fe 0.955 Co 0.045 ) 2 As 2 (T c = 8 K) and for three overdoped samples Ba(Fe 1–x Co x ) 2 As 2 (x = 0.103, 0.13, and 0.15; T c = 17.2, 16.5, and 11.7 K, respectively). Previous measurements of thermal conductivity (as a function of temperature and field) and penetration depth on comparable-composition samples gave some disagreement as to whether there was fully gapped/nodal behavior in the under-/overdoped materials, respectively. The present work shows that the measured behavior of the specific heat γ (∝C/T as T → 0, i.e., a measure of the electronic density of states at the Fermi energy) as a function of field approximately obeys γ ∝ H 0.5±0.1 , similar to the Volovik effect for nodal superconductors, for both the underdoped and the most overdoped Co samples. However, for the two overdoped compositions x = 0.103 and 0.13, the low-field (H ≤ 10 T) data show a Volovik-like behavior of γ ∝ H 0.3–0.4 , followed by an inflection point, followed at higher fields by γ ∝ H 1 . Here, we argue that, within the two-band theory of superconductivity, an inflection point may occur if the interband coupling is dominant.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗