The ABINIT Users Mailing List ( CLOSED )

[Paul Fons <paul-fons@aist.go.jp>]

Hello.  I have what I hope is a simple question.  I wish to run abinit to check on the electronic properties of some of the model structures we have been developing.  To this end, I have (just) purchased at 2.7 GHz dual G5 with 4 GB of memory and have ordered the absoft compiler.  Once I have the compiler in hand, I plan to compile the latest version of abinit (as there seem to be no binaries available).  My question is before I start compiling -- I have two cpu's, will I get any more speed by compiling the MPI version (and installing the appropriate MPI subsystem) or will the serial version give roughly the same performance for my setup.  I realize the answer probably depends on the details of the calculation, I am really asking about typical and best case results.  Thanks for any help.

                                                                    Paul Fons

Dr. Paul Fons

Senior Researcher

National Institute for Advanced Industrial Science & Technology

METI

Center for Applied Near-Field Optics Research (CANFOR)

AIST Central 4, Higashi 1-1-1

Tsukuba, Ibaraki JAPAN 305-8568

tel. +81-298-61-5636

fax. +81-298-61-2939

email: paul-fons@aist.go.jp

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