Results for “applications” — Page 54

DOE OSTI2014

SU-E-T-04: 3D Printed Patient-Specific Surface Mould Applicators for Brachytherapy Treatment of Superficial Lesions

Purpose: Evaluate the feasibility of constructing 3D-printed patient-specific surface mould applicators for HDR brachytherapy treatment of superficial lesions. Methods: We propose using computer-aided design software to create 3D printed surface mould applicators for brachytherapy. A mould generation module was developed in the open-source 3D Slicer ( http://www.slicer.org ) medical image analysis platform. The system extracts the skin surface from CT images, and generates smooth catheter paths over the region of interest based on user-defined start and end points at a specified stand-off distance from the skin surface. The catheter paths are radially extended to create catheter channels that are sufficiently wide to ensure smooth insertion of catheters for a safe source travel. An outer mould surface is generated to encompass the channels. The mould is also equipped with fiducial markers to ensure its reproducible placement. A surface mould applicator with eight parallel catheter channels of 4mm diameters was fabricated for the nose region of a head phantom; flexible plastic catheters of 2mm diameter were threaded through these channels maintaining 10mm catheter separations and a 5mm stand-off distance from the skin surface. The apparatus yielded 3mm thickness of mould material between channels and the skin. The mould design was exported as a stereolithography file to a Dimension SST1200es 3D printer and printed using ABS Plus plastic material. Results: The applicator closely matched its design and was found to be sufficiently rigid without deformation during repeated application on the head phantom. Catheters were easily threaded into channels carved along catheter paths. Further tests are required to evaluate feasibility of channel diameters smaller than 4mm. Conclusion: Construction of 3D-printed mould applicators show promise for use in patient specific brachytherapy of superficial lesions. Further evaluation of 3D printing techniques and materials is required for constructing sufficiently thin, rigid and durable surface moulds suitable for clinical deployment.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2014

SU-E-T-343: Valencia Applicator Commissioning Using a Micro-Chamber Array

Purpose: In the commissioning and QA of surface isotope-based applicators, source-indexer distance (SID) has a great influence in the flatness, symmetry and output. To these purposes, methods described in the literature are the use of a special insert at the entrance of dwell chamber or radiochromic films. Here we present the experience with a micro-chamber array to perform the commissioning and QA of Valencia applicators. Methods: Valencia applicators have been used, the classic and the new extra-shielded version. A micro-chamber array has been employed, 1000 SRS (PTW), with 977 liquid filled, 2.3×2.3×0.5 mm{sup 3} sized ion chambers covering 11×11 cm{sup 2}, which spacing is 2.5 mm in the central 5.5×5.5 cm{sup 2}, dedicated mainly in principle, in conjunction with Octavius 4D (PTW), to IMRT, VMAT, SBRT verifications. Verisoft software that allows for 3D and planar analysis has been used to evaluate the results. Applicators were located on the surface of the array. To verify the SID, measurements corresponding to the reference value, SID ± 1 mm and SID ± 2 mm were acquired (integration time was fixed in order to discard the influence of the source entrance/exit). Once SID was determined, standard protocol treatments corresponding to 3 Gy and 7 Gy were acquired in order to establish typical patient dose distribution. Results: The method is fast and sensitive. The SID obtained was 1321 mm which is the nominal value included in the applicator manual. For example at 1319 mm an asymmetry of ±8% with respect to the central value was measured, along with a central deviation of −4% referred to 1321 mm. Conclusion: A practical method for the commissioning and QA of Valencia applicators has been described. It has been shown that it is an efficient and accurate tool for these purposes as well as for the verification of the absolute output constancy.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2015

SU-E-T-491: Influence of Applicator Dimensions On Doses to Bladder, Rectum and Sigmoid in HDR Brachytherapy for Cervical Cancer

Purpose: To study the influence of dimensions of the tandem and ring applicator on bladder D2cc, rectum D2cc and sigmoid D2cc in HDR treatment planning for cervical cancer. Methods: 53 plans from 13 patients treated at our institution with the tandem and ring applicator were retrospectively reviewed. Prescription doses were one of the following: 8 Gy x 3, 7 Gy x 4 and 5.5 Gy x 5. Doses to the D2ccs of the bladder, rectum and the sigmoid were recorded. These doses were normalized to their relative prescriptions doses. Correlations between the normalized bladder D2cc, rectum D2cc and sigmoid D2cc were investigated and linear regression models were developed to study the dependence of these doses on the ring diameter and the applicator angle. Results: Normalized doses to the D2cc of the bladder, rectum and sigmoid showed statistically significant correlation (P < 0.05) to the applicator angle. Significant correlation was also noted for the normalized D2cc of the rectum and the sigmoid with the ring diameter. The normalized bladder D2cc was found to decrease with applicator angle on an average by 22.65% ± 4.43% while the same for the rectum and sigmoid were found to increase on an average by 14.43% ± 1.65% and 14.01% ± 1.42% respectively. Both the rectum and sigmoid D2cc reduced with increasing ring diameter by 12.93% ± 1.95% and 11.27% ± 1.79%. No correlation was observed between the normalized bladder D2cc and the ring diameter. Conclusion: Preliminary regression models developed in this study can potentially aid in the choice of the appropriate applicator angle and ring diameter for tandem and ring implant so as to optimize doses to the bladder, rectum and sigmoid.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2015

SU-E-T-661: Quantitative MRI Assessment of a Novel Direction-Modulated Brachytherapy Tandem Applicator for Cervical Cancer

Purpose: To quantitatively evaluate the MR image quality of a novel direction modulated brachytherapy (DMBT) tandem applicator for cervical cancer, using the clinical MRI scanning protocol for image guided brachytherapy. Methods: The tungsten alloy-based applicator was placed in a water phantom and clinical imaging protocol was performed. Axial images were acquired using 2D turbo-spin echo (TSE) T2-weighted sequence on a 1.5T GE 450w MR scanner and an 8-channel body coil. As multi-channel receiver coil was used, inhomogeneities in the B1 receive field must be considered before performing the quantification process. Therefore the applicator was removed from the phantom and the whole imaging session was performed again for the water phantom with the same parameters. Images from the two scans were then subtracted, resulting in a difference image that only shows the applicator with its surrounding magnetic susceptibility dipole artifact. Line profiles were drawn and plotted on the difference image at various angles and locations along the tandem. Full width at half maximum (FWHM) was measured at all the line profiles to quantify the extent of the artifact. Additionally, the extent of the artifact along the diameter of the tandem was measured at various angles and locations. Results: After removing the background inhomogeneities of the receiver coil, FWHM of the tandem measured 5.75 ± 0.35 mm (the physical tandem diameter is 5.4 mm). The average extent of the artifacts along the diameter of the tandem measured is 2.14 ± 0.56 mm. In contrast to CT imaging of the same applicator (not shown here), the tandem can be easily identified without additional correction algorithms. Conclusion: This work demonstrated that the novel DMBT tandem applicator has minimal susceptibility artifact in T2-weighted images employed in clinical practice for MRI-guided brachytherapy of cervical cancer.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

DOE OSTI2015

MO-B-BRD-04: Sterilization for 3D Printed Brachytherapy Applicators

This session is designed so that the learning objectives are practical. The intent is that the attendee may take home an understanding of not just the technology, but also the logistical steps necessary to execute these 3D printing techniques in the clinic. Four practical 3D printing topics will be discussed: (i) Creating bolus and compensators for photon machines; (ii) tools for proton therapy; (iii) clinical applications in imaging; (iv) custom phantom design for clinic and research use. The use of 3D printers within the radiation oncology setting is proving to be a useful tool for creating patient specific bolus and compensators with the added benefit of cost savings. Creating the proper protocol is essential to ensuring that the desired effect is achieved and modeled in the treatment planning system. The critical choice of printer material (since it determines the interaction with the radiation) will be discussed. Selection of 3D printer type, design methods, verification of dose calculation, and the printing process will be detailed to give the basis for establishing your own protocol for electron and photon fields. A practical discussion of likely obstacles that may be encountered will be included. The diversity of systems and techniques in proton facilities leads to different facilities having very different requirements for beam modifying hardware and quality assurance devices. Many departments find the need to design and fabricate facility-specific equipment, making 3D printing an attractive technology. 3D printer applications in proton therapy will be discussed, including beam filters and compensators, and the design of proton therapy specific quality assurance tools. Quality control specific to 3D printing in proton therapy will be addressed. Advantages and disadvantages of different printing technology for these applications will also be discussed. 3D printing applications using high-resolution radiology-based imaging data will be presented. This data is used to 3D print individualized physical models of patient’s unique anatomy for aid in planning complex and challenging surgical procedures. Methods, techniques and imaging requirements for 3D printing anatomic models from imaging data will be discussed. Specific applications currently being used in the radiology clinic will be detailed. Standardized phantoms for radiation therapy are abundant. However, custom phantom designs can be advantageous for both clinical tasks and research. 3D printing is a useful method of custom fabrication that allows one to construct custom objects relatively quickly. Possibilities for custom radiotherapy phantoms range from 3D printing a hollow shell and filling the shell with tissue equivalent materials to fully printing the entire phantom with materials that are tissue equivalent as well as suitable for 3D printing. A range of materials available for use in radiotherapy phantoms and in the case of phantoms for dosimetric measurements, this choice is critical. The necessary steps required will be discussed including: modalities of 3D model generation, 3D model requirements for 3D printing, generation of machine instructions from the 3D model, and 3D printing techniques, choice of phantoms material, and troubleshooting techniques for each step in the process. Case examples of 3D printed phantoms will be shown. Learning Objectives: Understand the types of 3D modeling software required to design your device, the file formats required for data transfer from design software to 3D printer, and general troubleshooting techniques for each step of the process. Learn the differences between materials and design for photons vs. electrons vs. protons. Understand the importance of material choice and design geometries for your custom phantoms. Learn specific steps of quality assurance and quality control for 3D printed beam filters and compensators for proton therapy. Learn of special 3D printing applications for imaging. Cunha: Research support from Phillips Healthcare.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2015

MO-B-BRD-00: Clinical Applications of 3D Printing

This session is designed so that the learning objectives are practical. The intent is that the attendee may take home an understanding of not just the technology, but also the logistical steps necessary to execute these 3D printing techniques in the clinic. Four practical 3D printing topics will be discussed: (i) Creating bolus and compensators for photon machines; (ii) tools for proton therapy; (iii) clinical applications in imaging; (iv) custom phantom design for clinic and research use. The use of 3D printers within the radiation oncology setting is proving to be a useful tool for creating patient specific bolus and compensators with the added benefit of cost savings. Creating the proper protocol is essential to ensuring that the desired effect is achieved and modeled in the treatment planning system. The critical choice of printer material (since it determines the interaction with the radiation) will be discussed. Selection of 3D printer type, design methods, verification of dose calculation, and the printing process will be detailed to give the basis for establishing your own protocol for electron and photon fields. A practical discussion of likely obstacles that may be encountered will be included. The diversity of systems and techniques in proton facilities leads to different facilities having very different requirements for beam modifying hardware and quality assurance devices. Many departments find the need to design and fabricate facility-specific equipment, making 3D printing an attractive technology. 3D printer applications in proton therapy will be discussed, including beam filters and compensators, and the design of proton therapy specific quality assurance tools. Quality control specific to 3D printing in proton therapy will be addressed. Advantages and disadvantages of different printing technology for these applications will also be discussed. 3D printing applications using high-resolution radiology-based imaging data will be presented. This data is used to 3D print individualized physical models of patient’s unique anatomy for aid in planning complex and challenging surgical procedures. Methods, techniques and imaging requirements for 3D printing anatomic models from imaging data will be discussed. Specific applications currently being used in the radiology clinic will be detailed. Standardized phantoms for radiation therapy are abundant. However, custom phantom designs can be advantageous for both clinical tasks and research. 3D printing is a useful method of custom fabrication that allows one to construct custom objects relatively quickly. Possibilities for custom radiotherapy phantoms range from 3D printing a hollow shell and filling the shell with tissue equivalent materials to fully printing the entire phantom with materials that are tissue equivalent as well as suitable for 3D printing. A range of materials available for use in radiotherapy phantoms and in the case of phantoms for dosimetric measurements, this choice is critical. The necessary steps required will be discussed including: modalities of 3D model generation, 3D model requirements for 3D printing, generation of machine instructions from the 3D model, and 3D printing techniques, choice of phantoms material, and troubleshooting techniques for each step in the process. Case examples of 3D printed phantoms will be shown. Learning Objectives: Understand the types of 3D modeling software required to design your device, the file formats required for data transfer from design software to 3D printer, and general troubleshooting techniques for each step of the process. Learn the differences between materials and design for photons vs. electrons vs. protons. Understand the importance of material choice and design geometries for your custom phantoms. Learn specific steps of quality assurance and quality control for 3D printed beam filters and compensators for proton therapy. Learn of special 3D printing applications for imaging. Cunha: Research support from Phillips Healthcare.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2016

Design and characterization of a new high-dose-rate brachytherapy Valencia applicator for larger skin lesions

Purpose: The aims of this study were (i) to design a new high-dose-rate (HDR) brachytherapy applicator for treating surface lesions with planning target volumes larger than 3 cm in diameter and up to 5 cm in size, using the microSelectron-HDR or Flexitron afterloader (Elekta Brachytherapy) with a {sup 192}Ir source; (ii) to calculate by means of the Monte Carlo (MC) method the dose distribution for the new applicator when it is placed against a water phantom; and (iii) to validate experimentally the dose distributions in water. Methods: The PENELOPE2008 MC code was used to optimize dwell positions and dwell times. Next, the dose distribution in a water phantom and the leakage dose distribution around the applicator were calculated. Finally, MC data were validated experimentally for a {sup 192}Ir mHDR-v2 source by measuring (i) dose distributions with radiochromic EBT3 films (ISP); (ii) percentage depth–dose (PDD) curve with the parallel-plate ionization chamber Advanced Markus (PTW); and (iii) absolute dose rate with EBT3 films and the PinPoint T31016 (PTW) ionization chamber. Results: The new applicator is made of tungsten alloy (Densimet) and consists of a set of interchangeable collimators. Three catheters are used to allocate the source at prefixed dwell positions with preset weights to produce a homogenous dose distribution at the typical prescription depth of 3 mm in water. The same plan is used for all available collimators. PDD, absolute dose rate per unit of air kerma strength, and off-axis profiles in a cylindrical water phantom are reported. These data can be used for treatment planning. Leakage around the applicator was also scored. The dose distributions, PDD, and absolute dose rate calculated agree within experimental uncertainties with the doses measured: differences of MC data with chamber measurements are up to 0.8% and with radiochromic films are up to 3.5%. Conclusions: The new applicator and the dosimetric data provided here will be a valuable tool in clinical practice, making treatment of large skin lesions simpler, faster, and safer. Also the dose to surrounding healthy tissues is minimal.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2012

Parameterized Micro-benchmarking: An Auto-tuning Approach for Complex Applications

Auto-tuning has emerged as an important practical method for creating highly optimized implementations of key computational kernels and applications. However, the growing complexity of architectures and applications is creating new challenges for auto-tuning. Complex applications can involve a prohibitively large search space that precludes empirical auto-tuning. Similarly, architectures are becoming increasingly complicated, making it hard to model performance. In this paper, we focus on the challenge to auto-tuning presented by applications with a large number of kernels and kernel instantiations. While these kernels may share a somewhat similar pattern, they differ considerably in problem sizes and the exact computation performed. We propose and evaluate a new approach to auto-tuning which we refer to as parameterized micro-benchmarking. It is an alternative to the two existing classes of approaches to auto-tuning: analytical model-based and empirical search-based. Particularly, we argue that the former may not be able to capture all the architectural features that impact performance, whereas the latter might be too expensive for an application that has several different kernels. In our approach, different expressions in the application, different possible implementations of each expression, and the key architectural features, are used to derive a simple micro-benchmark and a small parameter space. This allows us to learn the most significant features of the architecture that can impact the choice of implementation for each kernel. We have evaluated our approach in the context of GPU implementations of tensor contraction expressions encountered in excited state calculations in quantum chemistry. We have focused on two aspects of GPUs that affect tensor contraction execution: memory access patterns and kernel consolidation. Using our parameterized micro-benchmarking approach, we obtain a speedup of up to 2 over the version that used default optimizations, but no auto-tuning. We demonstrate that observations made from microbenchmarks match the behavior seen from real expressions. In the process, we make important observations about the memory hierarchy of two of the most recent NVIDIA GPUs, which can be used in other optimization frameworks as well.

auto-tuning↗

DOE OSTI2015

Improving concurrency and asynchrony in multithreaded MPI applications using software offloading

We present a new approach for multithreaded communication and asynchronous progress in MPI applications, wherein we offload communication processing to a dedicated thread. The central premise is that given the rapidly increasing core counts on modern systems, the improvements in MPI performance arising from dedicating a thread to drive communication outweigh the small loss of resources for application computation, particularly when overlap of communication and computation can be exploited. Our approach allows application threads to make MPI calls concurrently, enqueuing these as communication tasks to be processed by a dedicated communication thread. This not only guarantees progress for such communication operations, but also reduces load imbalance. Our implementation additionally significantly reduces the overhead of mutual exclusion seen in existing implementations for applications using MPI THREAD MULTIPLE. Our technique requires no modification to the application, and we demonstrate significant performance improvement (up to 2X) for QCD, 1-D FFT and deep learning CNN applications.

Vaidyanathan, Karthikeyan↗

DOE OSTI2018

LADR: low-cost application-level detector for reducing silent output corruptions

Applications running on future high performance computing (HPC) systems are more likely to experience transient faults due to technology scaling trends with respect to higher circuit density, smaller transistor size and near-threshold voltage (NTV) operations. A transient fault could corrupt application state without warning, possibly leading to incorrect application output. Such errors are called silent data corruptions (SDCs). In this paper, we present LADR, a low-cost application-level SDC detector for scientific applications. LADR protects scientific applications from SDCs by watching for data anomalies in their state variables (those of scientific interest). It employs compile-time data-flow analysis to minimize the number of monitored variables, thereby reducing runtime and memory overheads while maintaining a high level of fault coverage with low false positive rates. We evaluated LADR with 4 scientific workloads and results show that LADR achieved < 80% fault coverage with only ∼ 3% runtime overheads and ∼ 1% memory overheads. As compared to prior state-of-the-art anomaly-based detection methods, SDC achieved comparable or improved fault coverage, but reduced runtime overheads by 21% ∼ 75%, and memory overheads by 35% ∼ 55% for the evaluated workloads. We believe that such an approach with low memory and runtime overheads coupled with attractive detection precision makes LADR a viable approach for assuring the correct output from large-scale high performance simulations.

Chen, Chao↗

DOE OSTI2023

Auto-HPCnet: An Automatic Framework to Build Neural Network-based Surrogate for High-Performance Computing Applications

High-performance computing communities are increasingly adopt- ing Neural Networks (NN) as surrogate models in their applications to generate scientific insights. Replacing an execution phase in the application with NN models can bring significant performance im- provement. However, there is a lack of tools that can help domain scientists automatically apply NN-based surrogate models to HPC applications. We introduce a framework, named Auto-HPCnet, to democratize the usage of NN-based surrogates. Auto-HPCnet is the first end-to-end framework that makes past proposals for the NN-based surrogate model practical and disciplined. Auto-HPCnet introduces a workflow to address unique challenges when apply- ing the approximation, such as feature acquisition and meeting the application-specific constraint on the quality of final computation outcome. We show that Auto-HPCnet can leverage NN for a set of HPC applications and achieve 5.50× speedup on average (up to 16.8× speedup and with data preparation cost included) while meeting the application-specific constraint on the final computation quality.

Dong, Wenqian↗

DOE OSTI2023

Optimizing Communication in 2D Grid-Based MPI Applications at Exascale

The new reality of exascale computing faces many challenges in achieving optimal performance on large numbers of nodes. A key challenge is the efficient utilization of the message-passing interface (MPI), a critical component for process communication. This paper explores communication optimization strategies to harness the GPU-accelerated architectures of these supercomputers. We focus on MPI applications where processors form a two-dimensional process grid, a common arrangement in applications involving dense matrix operations. This configuration offers a unique opportunity to implement innovative strategies to improve performance and maintain effective load distribution. We study two applications— Dist-FW (Apsp:all-pair-shortest-path) and HPL-MxP (LU factorization with Mixed precision)—on two accelerated systems: Summit (IBM Power and NVIDIA V100) and Frontier (AMD EPYC and MI250X). These supercomputers are operated by the Oak Ridge Leadership Computing Facility (OLCF) and are currently ranked #1 and #5 on the Top500 list. We show how to scale up both applications to exascale levels and tackle the MPI challenges related to implementation, synchronization, and performance. We also compare the performance of several communication strategies at an unprecedented scale. Accurately predicting application performance becomes crucial for cost reduction as the computational scale grows. To address this, we suggest a hyperbolic model as a better alternative to the traditional one-sided asymptotic model for predicting future application performance at such large scales.

Lu, Hao↗

DOE OSTI2025

Towards Seamless Interoperability of MPI-OpenMP Applications

A chasm exists between mathematical software libraries written for MPI-based applications and those written for OpenMP applications. Recently, however, PETSc enables the simple use of its MPI-based linear solvers from OpenMP applications. Separately, the MPICH MPI development team has started a new project to allow almost seamless MPI use in OpenMP applications. Both proposed approaches would result in a similar user experience. Here, we discuss the reasons for these projects and their potential for providing more numerical library choices for OpenMP applications, including the unlimited assortment of linear solvers available in PETSc. In addition, we present the performance of an application using the first approach, demonstrating its efficacy.

MPI↗

DOE OSTI2019

Umpire: Application-Focused Management and Coordination of Complex Hierarchical Memory

Advanced architectures like Sierra provide a wide range of memory resources that must often be carefully controlled by the user. These resources have varying capacities, access timing rules, and visibility to different compute resources. Applications must intelligently allocate data in these spaces, and depending on the total amount of memory required, applications may also be forced to move data between different parts of the memory hierarchy. Finally, applications using multiple packages must coordinate effectively to ensure that each package can use the memory resources it needs. To address these challenges, we present Umpire, an application-oriented library for managing memory resources. Specifically, Umpire provides support for querying memory resources, provisioning and allocating memory, and memory introspection. It allows computer scientists and computational physicists to efficiently program the memory hierarchies of current and future high-performance computing architectures, without tying their application to specific hardware or software. In this paper, we describe the design and implementation of Umpire and present case studies from the integration of Umpire into applications that are currently running on Sierra.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2022

[Retracted] Research on Application Experience Design of Ice and Snow Sports Equipment Based on Bee Colony Model

Sports equipment is the key to the smooth development of ice and snow sports. With the rapid development of social economy and the improvement of people’s living standards, the demand for ice and snow sports equipment is increasing day by day. This article presents an improved method based on the chaos theory and the bee colony algorithm to quantify the application experience design of ice and snow sports equipment and reduce the influence of uncertain factors on the design results. First, the chaos theory can establish the dataset of application experience design and analyze the discreteness of the set. According to the bee colony algorithm, the dataset is divided into several groups, and each group obtains the best application experience design by using the design optimization strategy. Finally, the results are mixed to obtain the final experience design results. Through MATLAB simulation analysis and verification, the improved bee colony model can improve the accuracy of application experience design of ice and snow sports equipment in an uncertain environment, shorten the overall design time, and meet the requirements of application experience design of different ice and snow sports equipment. Therefore, the model proposed in this paper is suitable for the application experience design of ice and snow sports equipment.

Li, Yuanjing (ORCID:000000018276647X)↗

DOE OSTI2024

General Applications for Hamilton Vantage (GenApps for Vantage) v0.6.1

General applications for Hamilton Vantage is a flexible liquid handling method used to automate the most widely applicable types of automated liquid transfers. General applications can also be used as a tool to onboard new fully-automated workflows by breaking them down step by step into single transfers. The goal of General Applications is to make using the Hamilton Vantage liquid handler as easy & practical as using a handheld pipette for the end user. The software supports plate-to-plate transfers for a variety of method types including: Stamp: One-to-One, Stamp: One-To-Many, Split, Combine, Hitpick, and Qtray plating. General Applications eliminates the need for automation engineers to customize individual methods for each new workflow that gets onboarded. Steps can be customized within GenApps according to the needs of the researcher. The software utilizes a GUI to prompt the users to input variables – Allowing for flexible control over plate types, transfer volumes, number of replicates, tip types, liquid classes, mixing steps, aspiration/dispense heights and more. General Applications also generates a deck image and setup instructions to guide the researcher on how to load the deck and start the instrument.

Yoder, Sam↗

DOE OSTI2013

PoPLAR: Portal for Petascale Lifescience Applications and Research

Background: We are focusing specifically on fast data analysis and retrieval in bioinformatics that will have a direct impact on the quality of human health and the environment. The exponential growth of data generated in biology research, from small atoms to big ecosystems, necessitates an increasingly large computational component to perform analyses. Novel DNA sequencing technologies and complementary high-throughput approaches–such as proteomics, genomics, metabolomics, and meta-genomics–drive data-intensive bioinformatics. While individual research centers or universities could once provide for these applications, this is no longer the case. Today, only specialized national centers can deliver the level of computing resources required to meet the challenges posed by rapid data growth and the resulting computational demand. Consequently, we are developing massively parallel applications to analyze the growing flood of biological data and contribute to the rapid discovery of novel knowledge. Methods: The efforts of previous National Science Foundation (NSF) projects provided for the generation of parallel modules for widely used bioinformatics applications on the Kraken supercomputer. We have profiled and optimized the code of some of the scientific community’s most widely used desktop and small-cluster-based applications, including BLAST from the National Center for Biotechnology Information (NCBI), HMMER, and MUSCLE; scaled them to tens of thousands of cores on high-performance computing (HPC) architectures; made them robust and portable to next-generation architectures; and incorporated these parallel applications in science gateways with a web-based portal. Results: This paper will discuss the various developmental stages, challenges, and solutions involved in taking bioinformatics applications from the desktop to petascale with a front-end portal for very-large-scale data analysis in the life sciences. Conclusions: This research will help to bridge the gap between the rate of data generation and the speed at which scientists can study this data. The ability to rapidly analyze data at such a large scale is having a significant, direct impact on science achieved by collaborators who are currently using these tools on supercomputers.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2025

WELLS Interactive Application

The Wellbore Exploration and Location Logistic System (WELLS) Interactive Application is an interactive tool to enable easy exploration and visualization of the living national wellbore database (WELLS Database (https://edx.netl.doe.gov/dataset/wells_database)). The tool and underlying database were created and are maintained by the National Energy Technology Laboratory (NETL), providing visualization of the more than six million public wellbore records from more than 65 authoritative state, federal, and tribal resources. The WELLS Interactive Application serves up wellbore data from oil, gas, underground injection, research, geothermal, geotechnical, groundwater, and other types of wells in a single, standardized, unified system. In addition to the surface location of these wells, the underlying database combines select key attributes for features such as well age, depth, and operating status. The system also provides users with references back to the original sources used in this unified platform. The underlying data can be accessed through the WELLS Database: https://edx.netl.doe.gov/dataset/wells_database Additional Information: The WELLS Interactive Application (formerly titled CO2-Locate) enables visualization and access to the public wellbore records through an intuitive web-based mapping tool. The WELLS Interactive Application was designed to help users visualize, query, analyze, and download wellbore records. Public wellbore points are included as a layer in the Map page, called Public Wells. Additionally, a multivariate hexagon grid summarizing well density from proprietary well data, called Well Density, is included to identify data gaps between the public and proprietary well data. Filtering functionalities in the tool allow these two layers to be spatially filtered by state, county, or basin as well as by status, type, true vertical depth, and spud year. The WELLS Interactive Application also contains a Near Me tool can be used to search and explore wellbore data within a user-defined distance of a specified location on the map, which can also be downloaded. The Query tool allows users to query the selected or filtered wells in the Public Wells layer and export the data. For additional information on these tool functionalities, see the help documentation on the About page of the tool. Notes for Consideration: The Well Density layer provided in this application is derived from proprietary wellbore data, the records of which do not always contain values for key features (status, type, true vertical depth, or spud year). Therefore, data might not be available when layers are queried for all filter combinations. Additionally, visualizing layers and applying filters may take additional time to load (i.e., draw on the map) due to the large size of the data.

ccs↗