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CCL currently occupies about 700 square feet in two primary rooms of the Environmental and Occupational Health Sciences Institute, located on Busch Campus of Rutgers University in Piscataway, New Jersey. |
Currently Available Facilities and Tools at CCL
Complete and frequently updated lists of various resources and software, for which CCL maintains active licenses, are available on the following pages:
- Selected Environmental and Biological Models
- Scientific/Technical Development Software
- Software Utilities
- Hardware Facilites
The Computational Chemodynamics Laboratory (CCL) at the Environmental and Occupational Health Sciences Institute (EOHSI) is a state-of-the-art facility for modeling and informatics of environmental and biological systems, dedicated to the development and improvement of methods for performing mechanistically-based health risk studies.
Currently CCL supports, through modeling and data analysis, three federally-funded Centers, specifically (1) the USEPA-funded environmental bioinformatics and Computational Toxicology Center (ebCTC), (2) the USEPA-funded Center for Exposure and Risk Modeling (CERM), and (3) the NIEHS-funded Center for Environmental Exposures and Disease (CEED). It also supports the Ozone Research Center, funded by the New Jersey Department of Environmental Protection (NJDEP).
Computer model and software development and evaluation at CCL takes place on a distributed networked computing system. The CCL network includes clusters of both multiprocessor Sun (Solaris) and Linux (Beowulf) servers (both Intel-based and AMD Opteron-based multicore servers); these are complemented by personal computers and workstations (Mac OS X, Windows XP, and Linux) running Network File System (NFS and SMBFS) over a local switched 100-megabit and gigabit ethernet-based LAN. The overall computing facilities at CCL span about 50 servers (several of which are multiprocessor) and about 30 workstations (with a majority of them capable of booting multiple operating systems, and optionally to be used as servers). These computers access a total of about 20 terabytes of internal network accessible disk space with RAID protection. The Beowulf cluster and the Opteron servers are dual bootable and can operate as a cluster of Windows workstations as needed.
The computing clusters can operate in flexible modes, either as batch processors for multiple simulations assigned by front-load balancers, or as shared memory parallel virtual machines employing the Message Passing Interface (MPI) system. The combination of server-client and cluster computing approaches utilizing multiple operating systems assures both flexibility and cost-effectiveness in relation to either employing commercial and open source software for analysis or implementing locally developed applications. This hardware structure is particularly cost-effective for performing large-scale sensitivity and uncertainty studies, data analysis, and optimization for complex modeling studies.
CCL also includes resources for graphics and visualization capabilities through several Sun workstations (components of the clusters), Macintosh workstations, and multiple dual bootable Intel workstations. Several of the CCL researchers also use high-end, dual bootable laptops with wireless connectivity and secure, remote access. Various peripherals, including multipurpose copier/printer/scanner machines, DAT and Digital Linear Tape (DLT) libraries, complement the server and workstation network and provide support and interconversion capabilities for a wide range of operating systems, data types and formats.
The organization of the computational resources at CCL is based on the rationale of using the right tool for the task, as well as making the tools function robustly in a multitude of computing environments such as free-standing hardware (the UltraServers and individual workstations) and grid computing environments (the Beowulf Linux clusters and Windows clusters). The software tools and databases developed at CCL are tested on multiple platforms (Windows, Linux, Solaris, and Macintosh OS X), and are typically developed with cross-platform compatibility as one of the primary goals (in addition to correctness, robustness, efficiency, and ease of use via web-based interfaces whenever possible). All computer model development work as well as documentation and reports follow CCL policies that focus on standardized storage, version control and accessing of documentation and computer code (via RCS and CVS version control systems, which are also usable via CCL's secure intranet), standardized evaluation procedures for existing tools and methods (periodic application of standard test cases, and Regression and Smoke tests), and standardized reporting and tracking of feature requests, issues and bugs in the computational tools developed (via web-based interfaces using state-of-the-art open source tools for bug tracking and reporting).
CCL Software Facilities
To assure usage of state-of-the-art approaches for model development and data analysis, CCL maintains both open source tools and locally active licenses for a wide range of commercial software, including tools for Relational Database Development and Management (including Oracle, MySQL, PostgreSQL, MS Access, FileMaker Pro etc.), Geographic Information Systems analysis (including ArcGIS, ArcView, ArcInfo, GRASS, RAMAS GIS, PostGIS, Google Earth Professional, etc.), numerical and analytical model coding (including Matlab, Mathematica, Maple, ACSL, MathCad, Octave, etc., as well as Fortran, C/C++, .Net, Perl, and Java development environments), Computational Fluid Dynamics (CFD) (including Fluent, Airpac, CFX, Phoenics, MultiPhysics, and STAR-CD), data visualization (including TecPlot, NCAR Graphics, EVS Pro, IBM OpenDX, GGobi, etc.), statistical analysis and data mining (including S-Plus, SAS, SYSTAT, R, etc.), visual model development (including Rational Rose, Stella Research, Simul8, SimuLink, etc.), engineering design and technical illustration (including AutoCad, Visio Professional, Design Workshop, 3D Studio Viz), image processing (including GIMP, Photoshop, Matlab Image Processing, Image Analysis for ArcView, etc.), and website and web-based application development (including Dreamweaver, ArcIMS, Apache-based software, etc.).
CCL Environmental Model Repository
CCL maintains up-to-date versions of a wide range of environmental modeling packages for both atmospheric and multimedia applications. Examples of comprehensive environmental models available at CCL are:
- Gas/aerosol phase regional photochemical models (CAM-X 4, PM MAQSIP/MAQSIP-UDAERO, Models-3/ CMAQ, Models-3/CMAQ-Hg, SAQM, UAM-V/UAM-AERO),
- Trajectory atmospheric chemistry/aerosol models (RPM-IV, RPM-AERO, HYPACT, HYSPLIT, HPAC)
- Prognostic meteorological models (RAMS 4.4), MM5 (version 3/3.7)
- Aquatic fate and transport models (WASP5, MCM/DMCM)
- Ecological fate and transport models (BASS, ECOFATE)
- Ground water models (FACT 2.0, EPACMTP, the complete GMS 5.0 system, Model GIS 1.4 with ModFlow and ModFlow T),
- Geochemistry models (MINTEQ2A, SPARC, CHESS/JCHESS).
- Surface water/watershed models (BASINS, the complete SMS 8.1 and WMS 7.0 systems)
- Municipal Water Network Models (EPANET 2)
- Integrative multimedia models: MENTOR/SHEDS-4M, FRAMES/3MRA (FRAMES-3MRA (Multimedia, Multi-pathway, Multi-receptor Exposure and Risk Assessment, Versions 1.0 and 2.0 beta)
- Multimedia exposure models such as CalTOX, MMSOILS, RESRAD (Residual Radiation), IEM, USES (Unified System for the Evaluation of Substances), ARAMS (Army Risk Assessment Modeling System), MEPAS (Multimedia Environmental Pollutant Assessment System), MULTIMED (Multimedia Exposure Assessment Model)
Environmental Databases and Supplemental Resources
An example subset of the various databases currently linked with the MENTOR system for the multimedia metal Exposure Information System (EXIS), is the following list:
- HazDat, ATSDR's Hazardous Substance Release and Health Effects Database, Agency for Toxic Substances and Disease Registry (ATSDR)
- ORCA, National Oceanic and Atmospheric Administration's (NOAA) Ocean Resources Conservation and Assessment
- AIRS (Aerometric Information Retrieval System), USEPA, Office of Air Quality Planning and Standards (OAQPS)
- Arsenic Occurrence and Exposure Database (AOED), USEPA Office of Ground Water and Drinking Water
- Environmental Monitoring and Assessment Program (EMAP), USEPA
- National Air Toxics Assessment (NATA), USEPA Office of Policy
- The National Human Exposure Assessment Survey (NHEXAS) Arizona, Maryland, Region V, USEPA
- National Toxics Inventory (NTI), USEPA
- Safe Drinking Water Information System/Federal Version (SDWIS/FED), USEPA
- STORET - The EPA's STOrage and RETrieval database
- Toxics Release Inventory (TRI) 1988-1996, 1997, 1998-current, USEPA
- Total Diet Study (TDS), US Food and Drug Administration, Center for Food Safety and Applied Nutrition, Office of Plant and Dairy Foods and Beverages
- Multiple metal contamination data from U.S. Geological Survey National Water Quality Assessment (NAWQA) Data Warehouse
- Multiple metal contamination data from National Geochemical Atlas CD (NGA), United States Geological Survey (USGS)
- Water Quality Network (WQN), US Geological Survey (USGS)
- NJDEP NJ Bureau of Safe Drinking Water (NJBSDW);
- The New Jersey Atmospheric Deposition Network; Department of Environmental Sciences, Rutgers University; with funding from NJ Department of Environmental Protection (NJDEP)
- National Water Information System (NWIS), US Geological Survey (USGS)
- Arctic Monitoring and Assessment Program (AMAP) Assessment Report: Arctic Pollution Issues
- The Third National Health and Nutrition Examination Survey (NHANES III, 1988-94), also including relevant information on NHANES II, 1976-1979, Centers for Disease Control and Prevention (CDC)
- Continuing Survey of Food Intakes by Individuals (CSFII), US Department of Agriculture, Agricultural Research Service (USDA, ARS)
- Consolidated Human Activity Database (CHAD), EPA's National Exposure Research Laboratory by ManTech Environmental Technologies
Other Computational Facilities at Rutgers University & UMDNJ-RWJMS



