Re: [AMBER] Installation problem for Ambertools 12 on Mac OS X Lion

From: Jason Swails <jason.swails.gmail.com>
Date: Sun, 22 Apr 2012 10:28:46 -0400

Hello,

I had been meaning to get around to testing GCC 4.7, which just became a
stable release 1 month ago. I just installed it on MacPorts, but haven't
actually tested it yet.

Given the number of compiling issues AmberTools 1.5/Amber 11 had when GCC
4.6 became stable, I'm not surprised this is happening. It looks like
gfortran 4.7 is employing more strict type checking than older versions
used to, which chamber no longer complies with.

My suggestion is to use an older gcc since it will take some time to fix
all of the issues, I think (I've tested the full range of gcc 4.3 -> gcc
4.6 at one point, and the performance on my Mac was the same). I use GCC
4.4 (4.5 was experimental, and buggy, when I started building Amber), and
I've never had problems -- in fact that's the version I suggested on the
Wiki as well. You can use the command "sudo port install gcc44" to install
GCC 4.4 (you can also use 45, etc). This will not affect your GCC 4.7
installation, and this part of the wiki:
http://jswails.wikidot.com/mac-os-x#toc14 describes how to switch between
active gcc versions (and Python versions if you're so inclined).

HTH,
Jason

On Sunday, April 22, 2012, Richard Lonsdale wrote:

> Hi all,
>
> I've been experiencing problems installing Ambertools 12 on my Mac. I have
> OS X 10.7.3, Xcode 4.3.2, Macports 2.0.4 and am using gcc47 (as per
> instructions on http://jswails.wikidot.com/mac-os-x#toc2).
>
> The installation runs fine until the chamber stage, where I get the
> following error:
>
> make chamber
> gfortran -DBINTRAJ -c -O3 -mtune=native -ffree-form
> -I/Users/richlonsdale/programs/amber12/include
> -I/Users/richlonsdale/programs/amber12/include -o psfprm.o psfprm.F90
> psfprm.F90:3208.24:
>
> call deallocate_real(cg,amass)
> 1
> Error: Type mismatch in argument 'a0' at (1); passed REAL(10) to REAL(8)
> psfprm.F90:3231.24:
>
> call deallocate_real(pk,pn,phase)
> 1
> Error: Type mismatch in argument 'a0' at (1); passed REAL(10) to REAL(8)
> psfprm.F90:3249.24:
>
> call deallocate_real(cn1,cn2,rk,req)
> 1
> Error: Type mismatch in argument 'a0' at (1); passed REAL(10) to REAL(8)
> psfprm.F90:3250.24:
>
> call deallocate_real(cn114,cn214)
> 1
> Error: Type mismatch in argument 'a0' at (1); passed REAL(10) to REAL(8)
> psfprm.F90:3251.24:
>
> call deallocate_real(radii,screen)
> 1
> Error: Type mismatch in argument 'a0' at (1); passed REAL(10) to REAL(8)
> psfprm.F90:3252.24:
>
> call deallocate_real(scnb_scale_factor,scee_scale_factor)
> 1
> Error: Type mismatch in argument 'a0' at (1); passed REAL(10) to REAL(8)
> psfprm.F90:2754.21:
>
> call allreal(natom,radii,screen)
> 1
> Error: Type mismatch in argument 'a0' at (1); passed REAL(10) to REAL(8)
> psfprm.F90:1084.25:
>
> call allreal(nfound,pk,pn,phase)
> 1
> Error: Type mismatch in argument 'a0' at (1); passed REAL(10) to REAL(8)
> psfprm.F90:1085.25:
>
> call allreal(nfound,scnb_scale_factor,scee_scale_factor)
> 1
> Error: Type mismatch in argument 'a0' at (1); passed REAL(10) to REAL(8)
> psfprm.F90:273.38:
>
> call allreal(ntypes*(ntypes+1)/2,cn1,cn2,cn114,cn214)
> 1
> Error: Type mismatch in argument 'a0' at (1); passed REAL(10) to REAL(8)
> make[3]: *** [psfprm.o] Error 1
> make[2]: *** [install] Error 2
> make[1]: *** [serial] Error 2
> make: *** [install] Error 2
>
>
> Thanks in advance,
>
> Richard
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Sun Apr 22 2012 - 07:30:03 PDT
Custom Search