Daryl W. Hess
DMS Division of Mathematical Sciences
MPS Directorate for Mathematical & Physical Sciences
Start Date:
August 1, 2002
Expires:
July 31, 2007 (Estimated)
Awarded Amount to Date:
$405202
Investigator(s):
James Calvin calvin@stat.tamu.edu (Principal Investigator)
William Rundell (Former Principal Investigator)
Robert Webb (Co-Principal Investigator) Raymond Carroll (Co-Principal Investigator) Binayak Mohanty (Co-Principal Investigator) Michael Hall (Co-Principal Investigator)
Sponsor:
Texas Agricultural Experiment Station
2147 TAMU
COLLEGE STATION, TX 77845 979/845-4761
NSF Program(s):
INFRASTRUCTURE PROGRAM, MAJOR RESEARCH INSTRUMENTATION
Field Application(s):
0000099 Other Applications NEC
Program Reference Code(s):
OTHR, 0000
Program Element Code(s):
1260, 1189
ABSTRACT
Texas A&M University plans to design and build a 256 processor,
medium grain parallel machine with as close to maximum floating
point performance per dollar as possible. This system, commonly
referred to as a Beowulf cluster, will require a modification of
the usual paradigm in order to solve certain design problems
inherent in these systems. The cluster will contain 256 processors
consisting of 128 nodes using dual AMD motherboards, each with
1GB ECC DDR DRAM and will be interconnected with Gigabit Ethernet
to form one of the largest and most powerful academic clusters.
Components will be chosen to minimize cost while maximizing
performance. Novel techniques for mounting and cooling the
motherboards will be explored in an effort to maximize the
density of the nodes. Multiple operating environments will
also be made available, allowing the end user to determine
which environment yields the peak performance for their
application. This machine will be used to solve a variety of
computationally intensive problems in the mathematical and
physical sciences and support researchers primarily located
in chemistry, mathematics, physics and statistics. One group,
with a core in numerical analysis but with emphasis on fluid
flowing porous media, will also include researchers with
expertise in oil recovery and in groundwater flow (from
Petroleum and from Agriculture Engineering) and in parallel
architectures (from Computer Science). In addition to problems in
large-scale computation, the groups will be solving problems in
inverse problems, nonparametric function estimation, statistical
methods for computational biology, quantum dynamics, high energy
physics, inorganic and organometallic systems, and polyatomic
molecules.
This effort will also provide an educational benefit, both within
the design and the implementation stages. Mechanical Engineering
will use the novel power and cooling requirements of the system as
source of activity in a senior design class. Once the system is in
place, the departments of Mathematics, Statistics and Computer
Science will provide courses in efficient utilization and
programming to allow maximum benefit to the designated research
groups, as well as the rest of the university community.
PUBLICATIONS PRODUCED AS A RESULT OF THIS RESEARCH Next
(Showing: 1 - 20 of 34).
Adams, RD; Captain, B; Beddie, C; Hall, MB.
"Photoreversible multiple additions of hydrogen to a highly unsaturated platinum-rhenium cluster complex,"
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
v.129,
2007,
p. 986
- 1000.
Arnowitt, R; Aurisano, A; Dutta, B; Kamon, T; Kolev, N; Simeon, P; Toback, D; Wagner, P.
"Indirect measurements of the (tau)over-tilde-(chi)over-tilde(1)(0) mass difference and M(g)over-tilde in the co-annihilation region of mSUGRA models at the LHC,"
PHYSICS LETTERS B,
v.649,
2007,
p. 73
- 82.
Beddie, C; Hall, MB.
"A theoretical investigation of ruthenium-catalyzed alkene hydrosilation: Evidence to support an exciting new mechanistic proposal,"
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
v.126,
2004,
p. 13564
- 13565.
Beddie, C; Hall, MB.
"Do B3LYP and CCSD(T) predict different hydrosilylation mechanisms? Influences of theoretical methods and basis sets on relative energies in ruthenium-silylene-catalyzed ethylene hydrosilylation,"
JOURNAL OF PHYSICAL CHEMISTRY A,
v.110,
2006,
p. 1416
- 1425.
Beddie, C; Webster, CE; Hall, MB.
"Urea decomposition facilitated by a urease model complex: a theoretical investigation,"
DALTON TRANSACTIONS,
2005,
p. 3542
- 3551.
Borg, SJ; Tye, JW; Hall, MB; Best, SP.
"Assignment of molecular structures to the electrochemical reduction products of diiron compounds related to [Fe-Fe] hydrogenase: A combined experimental and density functional theory study,"
INORGANIC CHEMISTRY,
v.46,
2007,
p. 384
- 394.
Carstensen, C; Lazarov, R; Tomov, S.
"Explicit and averaging a posteriori error estimates for adaptive finite volume methods,"
SIAM JOURNAL ON NUMERICAL ANALYSIS,
v.42,
2005,
p. 2496
- 2521.
Cook, KS; Incarvito, CD; Webster, CE; Fan, YB; Hall, MB; Hartwig, JE.
"Rhodium silyl boryl hydride complexes: Comparison of bonding and the rates of elimination of borane, silane, and dihydrogen,"
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION,
v.43,
2004,
p. 5474
- 5477.
Cui, XH; Fan, YB; Hall, MB; Burgess, K.
"Mechanistic insights into iridium-catalyzed asymmetric hydrogenation of dienes,"
CHEMISTRY-A EUROPEAN JOURNAL,
v.11,
2005,
p. 6859
- 6868.
Dobrev, VA; Lazarov, RD; Vassilevski, PS; Zikatanov, LT.
"Two-level preconditioning of discontinuous Galerkin approximations of second-order elliptic equations,"
NUMERICAL LINEAR ALGEBRA WITH APPLICATIONS,
v.13,
2006,
p. 753
- 770.
Douglas, CC; Shannon, CE; Efendiev, Y; Ewing, R; Ginting, V; Lazarov, R; Cole, MJ; Jones, G; Johnson, CR; Simpson, J.
"A note on data-driven contaminant simulation,"
COMPUTATIONAL SCIENCE - ICCS 2004, PT 3, PROCEEDINGS,
v.3038,
2004,
p. 701
- 708.
Efendiev, Y; Ginting, V; Hou, T; Ewing, R.
"Accurate multiscale finite element methods for two-phase flow simulations,"
JOURNAL OF COMPUTATIONAL PHYSICS,
v.220,
2006,
p. 155
- 174.
Efendiev, Y; Hou, T; Luo, W.
"Preconditioning Markov chain Monte Carlo simulations using coarse-scale models,"
SIAM JOURNAL ON SCIENTIFIC COMPUTING,
v.28,
2006,
p. 776
- 803.
Fan, YB; Cui, XH; Burgess, K; Hall, MB.
"Electronic effects steer the mechanism of asymmetric hydrogenations of unfunctionalized aryl-substituted alkenes,"
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
v.126,
2004,
p. 16688
- 16689.
Fan, YB; Hall, MB.
"The competition between allene and butadiene in the carbon-hydrogen bond activation initiated by a tungsten allyl complex: A DFT study,"
ORGANOMETALLICS,
v.24,
2005,
p. 3827
- 3835.
Hartwig, JF; Cook, KS; Hapke, M; Incarvito, CD; Fan, YB; Webster, CE; Hall, MB.
"Rhodium boryl complexes in the catalytic, terminal functionalization of alkanes,"
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
v.127,
2005,
p. 2538
- 2552.
Hayes, PG; Beddie, C; Hall, MB; Waterman, R; Tilley, TD.
"Hydrogen-substituted osmium silylene complexes: Effect of charge localization on catalytic hydrosilation,"
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY,
v.128,
2006,
p. 428
- 429.
Kail, BW; Perez, LM; D Zaric, S; Millar, AJ; Young, CG; Hall, MB; Basu, P.
"Mechanistic investigation of the oxygen-atom-transfer reactivity of dioxo-molybdenum(VI) complexes,"
CHEMISTRY-A EUROPEAN JOURNAL,
v.12,
2006,
p. 7501
- 7509.
Lucchese, RR; Bevan, JW; Lovas, FJ.
"Microwave spectrum of Ne : HBr: structural perspectives on Rg : HX, Rg = Ne, Ar, Kr; X = F, Cl, Br, I,"
CHEMICAL PHYSICS LETTERS,
v.398,
2004,
p. 544
- 552.
Mahawar, H; Sarin, V.
"Preconditioned iterative solvers for inductance extraction of VLSI circuits,"
SIAM JOURNAL ON SCIENTIFIC COMPUTING,
v.29,
2007,
p. 182
- 196.
