MPI-parallelization of the HF

• Informador: mikiya_fujii
• Propietario: mikiya_fujii
• Tipo: Feature Requests
• Estado: Cerrado
• Componente: (Ninguno)
• Hito: ver0.3.0 (cerrado)
• Prioridad: 6
• Gravedad: 6
• Resolución: Fixed
• Fichero: Ninguno

Details

MPI-parallelization of the HF is needed because constructing the Fock matrix is one of hotspots in the ground state MD (maybe for opt also).

Ticket History (3/4 Histories)

2013-08-08 09:53 Updated by: mikiya_fujii

• New Ticket "MPI-parallelization of the HF" created

2013-08-08 14:30 Updated by: mikiya_fujii

• Resolución Update from Ninguno to Fixed
• Ticket Close date is changed to 2013-08-08 14:30
• Estado Update from Open to Cerrado

Comentario

fixed at r1462

2013-08-08 15:45 Updated by: mikiya_fujii

• Resolución Update from Fixed to Ninguno
• Estado Update from Cerrado to Open

Comentario

reopen to optimize more.

2013-08-08 15:47 Updated by: mikiya_fujii

• Resolución Update from Ninguno to Fixed
• Ticket Close date is changed to 2013-08-08 15:47
• Estado Update from Open to Cerrado

Comentario

fixed at r1463