AMBER Archive (2009)

Subject: [AMBER] Compiling Amber with gfortran-4.5.0 on a mac

From: Ben Roberts (roberts_at_qtp.ufl.edu)
Date: Tue Sep 29 2009 - 16:37:31 CDT

Hi all,

Apologies if I'm repeating anyone here. I think there were some
questions asked about this, but I seem to have deleted the relevant emails.

Anyway, if anyone is trying to compile Amber on a Mac running Snow
Leopard (or possibly other versions of the Mac OS - I haven't tested
this), and using gfortran 4.5.0 to do it, you may run into a problem
like this:

gfortran -c -O3 -ffree-form -o pb_force.o _pb_force.f
_pb_force.f: In function 'phintp.2255':
_pb_force.f:1286:0: error: type mismatch in component reference
real(kind=8)[0:D.2764] * restrict

real(kind=8)[0:D.7772] *

# VUSE <.MEM_173(D)>
D.5358_39 = CHAIN.410_38(D)->phi;

_pb_force.f:1286:0: error: type mismatch in component reference
real(kind=8)[0:D.2764] * restrict

...and so on and so forth.

If so, you should be able to work around it by reducing the Fortran
optimisation level (see the variable FOPTFLAGS in config_amber.h) from
"-O3" to "-O2". I've tried this and it seems to work.

Ben 

-- 
Benjamin P. Roberts
Postdoctoral Research Associate
Quantum Theory Project
University of Florida

2301 New Physics Building #92
PO Box 118435
Gainesville FL 32611-8435
USA

Phone: +1 352 392 6712
Cell:  +1 352 222 3677

Member of the Royal Australian Chemical Institute
and of the American Chemical Society

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