AMBER Archive (2006)

Subject: Re: AMBER: amber9: SA Bomb in sa_arc

From: Giulio Rastelli (
Date: Thu Oct 26 2006 - 10:58:50 CDT

Dear Ross, thanks for your reply.

> It is probably unlikely that the code wants all 32GB of memory that you
> have. I suspect it is more likely that the code was compiled in 32 bit mode
> which means the maximum addressible memory is 2GB, regardless of how much
> you have in the machine. What compiler and version did you use to compile
> the code? What options did you pass to Amber's configure script?
Amber9 was compiled with pgi 6.1
the configure script for the serial compilation contained -opteron pgf90
as options. That of the parallel executables contained -mpi -opteron pgf90
Based on this, should I change these options or should I go back to
intel (we have intel 9.0)
Thanks a lot,


Prof. Giulio Rastelli Dipartimento di Scienze Farmaceutiche Facolta' di Bioscienze e Biotecnologie Universita' di Modena e Reggio Emilia Via Campi 183 41100 Modena - ITALY ------------------------------------- tel 0039-059-2055145 fax 0039-059-2055131 -------------------------------------

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