In the paper the application porting process developed for the DL_POLY package, using the P-GRADE Grid Portal tool available in COMPCHEM, is described. For this purpose a new workflow stategy to perform long run calculations has been designed and a set of visualization tools has been implemented.

A fault tolerant workflow for CPU demanding calculations

COSTANTINI, ALESSANDRO;GERVASI, Osvaldo;LAGANA', Antonio
2011

Abstract

In the paper the application porting process developed for the DL_POLY package, using the P-GRADE Grid Portal tool available in COMPCHEM, is described. For this purpose a new workflow stategy to perform long run calculations has been designed and a set of visualization tools has been implemented.
2011
978-3-642-21930-6
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11391/437496
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