AMBER Archive (2009)

Subject: Re: [AMBER] Compiling Amber 10 (serial) on Mac OS X 10.5.7 w/ gcc, Intel Fortan 11.0 and MKL 10.0

From: Scott Brozell (sbrozell_at_rci.rutgers.edu)
Date: Wed Jul 22 2009 - 14:52:59 CDT

Hi,

On Tue, Jul 21, 2009 at 04:20:36PM -0500, David Watson wrote:
> After much agony, I was able to successfully compile Amber 10 serial
> with ifort and the MKL using the following procedure.
>
> 1) ./configure_amber -nopar -nosanderidc ifort_macosx
>
> 2) in config_amber.h,
> a) add -xHost to FFLAGS and FOPTFLAGS

Why is 2a necessary ? What happened without it ?
My reading of the manual indicates this is unncessary:

              On Mac OS* systems using IA-32 architecture, S, T, and P are valid
              processor values. On these systems, P is the default and is always
              set. On Mac OS systems using Intel(R) 64 architecture, S and T are
              the only valid processor values. On these systems, T is the default
              and is always set.

> b) change the LOADLIB line, as so:
> LOADLIB= -L/Library/Frameworks/Intel_MKL.framework/Versions/Current/
> lib/32 \
> /Library/Frameworks/Intel_MKL.framework/Versions/Current/lib/32/
> libmkl_solver_sequential.a \
> -lmkl_intel -lmkl_sequential -lmkl_core -lmkl_lapack -lguide -lpthread

We might try to support this automagically.

thanks for the report,
Scott

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