Workstation Evaluations

Evaluations should assess prolonged work in any posture that may result in harm or injury. Assess offices, computer areas, and nursing stations. Evaluate force, duration, position, frequency, and metabolic expenditure of workers. Workers should be provided with good chairs that have arm and leg rests if required. Provide workstations that permit posture variations and with sufficient space 

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Having gathered and evaluated relevant reservoir data it is desirable to present this data in a way that allows easy visualisation of the subsurface situation. With a workstation it is easy to create a three dimensional picture of the reservoir, displaying the distribution of a variety of parameters, e.g. reservoir thickness or saturations. All realisations need to be in line with the geological model. 

The Fourier sum, involving the three dimensional FFT, does not currently run efficiently on more than perhaps eight processors in a network-of-workstations environment. On a more tightly coupled machine such as the Cray T3D/T3E, we obtain reasonable efficiency on 16 processors, as shown in Fig. 5. Our initial production implementation was targeted for a small workstation cluster, so we only parallelized the real-space part, relegating the Fourier component to serial evaluation on the master processor. By Amdahl s principle, the 16% of the work attributable to the serially computed Fourier sum limits our potential speedup on 8 processors to 6.25, a number we are able to approach quite closely. 

NAMD [7] was born of frustration with the maintainability of previous locally developed parallel molecular dynamics codes. The primary goal of being able to hand the program down to the next generation of developers is reflected in the acronym NAMD Not (just) Another Molecular Dynamics code. Specific design requirements for NAMD were to run in parallel on the group s then recently purchased workstation cluster [8] and to use the fast multipole algorithm [9] for efficient full electrostatics evaluation as implemented in DPMTA [10]. 

A comparison of automated pipetting with manual pipetting, by Weltz [16]. demonstrates a difference of approximately one order of magnitude 0.4% RSD for automatic sample introduction versus 3.2% RSD for manual sample introduction. To achieve optimum results for trace elements in biological materials, the use of dedicated automated samplers is recommended. The Hquid-handhng capabihties of a pipetter/diluter workstation have been evaluated at Ortho Pharmaceutical (Haller et al. [17]). Four different volumes of each of three solvents were dispensed 20 times. Actual volumes... 

The progression from the target ( 3 in Figure 4.8), to the realization of Rh4(CO)i2 in Figure 4.9 can be followed. Snapshots of the SA optimization for recovery of the pure component spectrum of Rh4(CO)i2 are shown in Figure 4.10. Further refinements are made to the estimate as the optimization proceeds. For j=50 and k=5000, a pure component spectral recovery can require a few hours cpu time on a good workstation. SA typically encounters and evaluates 10 -10 local minima before the global minimum is achieved. 

The management of this screening workload distributed across multiple workstations can be rather labor-intensive and error prone without appropriate sample and data management tools. This places a large resource burden on screeners who could otherwise spend their time on higher-value activities such as more rigorous data evaluation. 

A rating system for desktop computers, laptop computers, computer monitors, and workstations that classifies items according to 28 optional criteria, which evaluate their environmental attributes in order to aid purchasers in their decisions... 

For data evaluation also self-programmed software (mostly in BTCL, Fortran, C) was applied. Data production runs were performed on a 74 processor Opteron Linux Cluster, a SGI Origin 2100 and on SGI Onyx workstation. 

Lindsey andco-workers [27,69,70], Weglarz and Atkin [32], and Metivier and co-workers [31,81] have all developed and applied Zymark robotic workstations to optimize chemistry. Lindsey and co-workers [69] completed a factorial design study (16 experiments) to examine the role of catalyst and reactant concentrations on porphyrin yield in less than 1 day of workstation time. Weglarz and Atkin at Dow Chemical Company [32] studied the effect of reaction parameters on (i) the alkoxy substitution of cellulosic ethers (ii) the base-catalyzed conversion ofphenethyl bromide to styrene and (iii) the onset of crystallization employing a fiber optic probe. Metivier and co-workers at Rhone-Poulenc [31,81] focused on the evaluation of catalysts, reagents, and solvents for process optimization work of numerous proprietary reactions. 

Mujtaba and Macchietto (1993) reported that, in general, the outer loop requires 4-5 function evaluations and 3-4 gradient evaluations to converge. Each inner loop problem requires 6-8 function and 4-6 gradient evaluations. One complete function evaluation of the outer loop requires about 5-6 minutes (CPU) using a SPARC-1 Workstation. The outer loop gradient evaluation time is approximately 20-25% smaller than that of a function evaluation. 

Mujtaba and Macchietto (1993) reported that the outer loop solution typically required 4-6 function and 3-4 gradient evaluations with 7-10 function and 5-6 gradient evaluations in each inner loop problem. One complete function and gradient evaluation of the outer loop required about 8-10 minutes CPU and 15-18 minutes, respectively, on a SPARC-1 Workstation. 

Approximately 30 minutes CPU for one complete function evaluation of the outer loop using a SPARC-1 Workstation. 

For each outer loop function and gradient evaluation 4 and 14 inner loop problems were solved respectively (a total of 124 inner loop problems). For the inner loop problems 12-14 iterations for Tasks 1 and 3 and 5-7 iterations for Tasks 2 and 4 were usually required. For this problem size and detail of dynamic and physical properties models the computation time of slightly over 5 hrs (using SPARC-1 Workstation) is acceptable. It is to note that the optimum number of plates and optimum recovery for Task 1 (Table 7.2) are very close to initial number of plates and recovery (Table 7.1). This is merely a coincidence. However, during function evaluation step the optimisation algorithm hit lower and upper bounds of the variables (shown in Table 7.1) a number of times. Note that the choices of variable bounds were done through physical reasoning as explained in detail in Chapter 6 and Mujtaba and Macchietto (1993). 

Computationally, the solution of the dynamic optimisation problem is time consuming and expensive. Mujtaba and Macchietto (1997) reported that the number of "Function" and "Gradient Evaluations" for each maximum conversion problem is between 7-9. A fresh solution would require approximately 600 cpu sec in a SPARC-1 Workstation. However, subsequent solutions for different but close values of tf could take advantage of the good initialisation values available from the previous solutions. 

Workstations and materials handling evaluated for above, redesigned as needed... 

The HVAC controls for critical (validated) areas should be grouped in specified field panels. One may want to label these panels Critical Process Controls Please Follow Change Control Procedures or something similar. This will prevent the necessity of having to validate noncritical controls. Electrical supplies and other utilities must also be evaluated. One may need a UPS (Uninterrupted Power Supply) for critical field panels and PC workstations to continuously moifitor critical equipment such as refrigerators, incubators, and particle counters with the BMS. 

Tel. 904-392-1597, fax. 904-392-8722, e-mail aces2 qtp.ufl.edu Ab initio molecular orbital code specializing in the evaluation of the correlation energy using many-body perturbation theory and coupled-cluster theory. Analytic gradients of the energy available at MBPT(2), MBPT(3), MBPT(4), and CC levels for restricted and unrestricted Hartree-Fock reference functions. MBPT(2) and CC gradients. Also available for ROHE reference functions. UNIX workstations. 

F. Haase and R. Ahlrichs, /. Comput. Chem., 14, 907 (1993). Semidirect MP2 Gradient Evaluation on Workstation Computers—The MPGRAD Program. 

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