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Title: National Resource for Computation in Chemistry (NRCC). Attached scientific processors for chemical computations: a report to the chemistry community

Technical Report ·
DOI:https://doi.org/10.2172/5677421· OSTI ID:5677421

The demands of chemists for computational resources are well known and have been amply documented. The best and most cost-effective means of providing these resources is still open to discussion, however. This report surveys the field of attached scientific processors (array processors) and attempts to indicate their present and possible future use in computational chemistry. Array processors have the possibility of providing very cost-effective computation. This report attempts to provide information that will assist chemists who might be considering the use of an array processor for their computations. It describes the general ideas and concepts involved in using array processors, the commercial products that are available, and the experiences reported by those currently using them. In surveying the field of array processors, the author makes certain recommendations regarding their use in computational chemistry. 5 figures, 1 table (RWR)

Research Organization:
Arkansas Univ., Fayetteville (USA). Dept. of Chemistry; Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
DOE Contract Number:
W-7405-ENG-48
OSTI ID:
5677421
Report Number(s):
LBL-10409
Country of Publication:
United States
Language:
English