[gmx-users] FW: gmx-users Digest, Vol 44, Issue 3
Bonner, Carl E.
cebonner at nsu.edu
Fri Dec 7 04:07:11 CET 2007
Thanks for the quick response.
I am using the MacPorts/DarwinPorts installation so I don't think I have
direct access to the compiler this way. I do have access to the Mac OS X
binaries. Can I use these since they are already compiled? If so how do I
go about this. The MacPorts are convenient and worked well on my other Macs
before I switched over to OS 10.5.
Thanks for any assistance.
Carl
Carl E. Bonner, Jr., Ph.D
Director, Center for Materials Research,
Professor of Chemistry and Materials Science
Norfolk State University 700 Park Avenue, Norfolk, VA 23504
(757) 823-2097 (voice) (757) 823-9054 (fax),
http://vigyan.nsu.edu/~cmr/cebonner.htm
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Today's Topics:
1. Re: Help, Errors while compiling gromacs under Mac OS X 10.5
Leopard (David van der Spoel)
----------------------------------------------------------------------
Message: 1
Date: Sun, 02 Dec 2007 09:56:17 +0100
From: David van der Spoel <spoel at xray.bmc.uu.se>
Subject: Re: [gmx-users] Help, Errors while compiling gromacs under
Mac OS X 10.5 Leopard
To: Discussion list for GROMACS users <gmx-users at gromacs.org>
Message-ID: <47527331.90904 at xray.bmc.uu.se>
Content-Type: text/plain; charset=ISO-8859-1; format=flowed
Bonner, Carl E. wrote:
> I am trying to set up gromacs on a G4 powerbook 1.25 GB RAM, 60 MB Drive,
I
> have upgraded to OS X 10.5. I am using the Darwinports installer. As
> instructed, I have installed XCode tools, X11 SDK. I got xmgrace to work,
> however, gwyddion, rasmol and gromacs error on compilation. For gromacs,
I
> get the following error:
This may mean that you have to change some compiler flags, since Leopard
comes with a new version of gcc. Previously one had to use -faltive.
Maybe you can read the gcc manual (man gcc) and the rerun
make CFLAGS="-faltivec"
or similar new flags. But I cannot find the right options right now..
>
>
> Carl-Bonners-laptop-Computer:gromacs carlbonner$ sudo port install gromacs
> Password:
> ---> Building gromacs with target all
> Error: Target org.macports.build returned: shell command " cd
>
"/opt/local/var/macports/build/_opt_local_var_macports_sources_rsync.macports
> .org_release_ports_science_gromacs/work/gromacs-3.3.1" && make all "
returned
> error 2
> Command output: nb_kernel010_ppc_altivec.c:145: error: 'Vvdw6' undeclared
> (first use in this function)
> nb_kernel010_ppc_altivec.c:146: error: 'Vvdw12' undeclared (first use in
this
> function)
> nb_kernel010_ppc_altivec.c:150: error: 'fs' undeclared (first use in this
> function)
> nb_kernel010_ppc_altivec.c:159: error: 'tmp1' undeclared (first use in this
> function)
> nb_kernel010_ppc_altivec.c:159: error: 'tmp2' undeclared (first use in this
> function)
> nb_kernel010_ppc_altivec.c:159: error: 'tmp3' undeclared (first use in this
> function)
> nb_kernel010_ppc_altivec.c:159: error: 'tmp4' undeclared (first use in this
> function)
> nb_kernel010_ppc_altivec.c: In function 'nb_kernel010nf_ppc_altivec':
> nb_kernel010_ppc_altivec.c:293: error: 'vector' undeclared (first use in
this
> function)
> nb_kernel010_ppc_altivec.c:293: error: syntax error before 'float'
> nb_kernel010_ppc_altivec.c:312: error: 'nul' undeclared (first use in this
> function)
> nb_kernel010_ppc_altivec.c:331: error: 'shvec' undeclared (first use in
this
> function)
> nb_kernel010_ppc_altivec.c:334: error: 'ix' undeclared (first use in this
> function)
> nb_kernel010_ppc_altivec.c:335: error: 'Vvdwtot' undeclared (first use in
> this function)
> nb_kernel010_ppc_altivec.c:339: error: 'iy' undeclared (first use in this
> function)
> nb_kernel010_ppc_altivec.c:339: error: 'iz' undeclared (first use in this
> function)
> nb_kernel010_ppc_altivec.c:353: error: 'dx' undeclared (first use in this
> function)
> nb_kernel010_ppc_altivec.c:353: error: 'dy' undeclared (first use in this
> function)
> nb_kernel010_ppc_altivec.c:353: error: 'dz' undeclared (first use in this
> function)
> nb_kernel010_ppc_altivec.c:357: error: 'rsq' undeclared (first use in this
> function)
> nb_kernel010_ppc_altivec.c:360: error: 'rinvsq' undeclared (first use in
this
> function)
> nb_kernel010_ppc_altivec.c:361: error: 'rinvsix' undeclared (first use in
> this function)
> nb_kernel010_ppc_altivec.c:367: error: 'c6' undeclared (first use in this
> function)
> nb_kernel010_ppc_altivec.c:367: error: 'c12' undeclared (first use in this
> function)
> make[5]: *** [nb_kernel010_ppc_altivec.lo] Error 1
> make[4]: *** [all-recursive] Error 1
> make[3]: *** [all-recursive] Error 1
> make[2]: *** [all-recursive] Error 1
> make[1]: *** [all] Error 2
> make: *** [all-recursive] Error 1
>
> Is this a problem with my gromacs installation, Leopard, or the operator?
>
> Thanks for any help
>
> Carl E. Bonner, Jr., Ph.D
> Professor of Chemistry and Materials Science
> Norfolk State University 700 Park Avenue, Norfolk, VA 23504
> (757) 823-2097 (voice) (757) 823-9054 (fax),
> http://vigyan.nsu.edu/~cmr/cebonner.htm
>
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--
David van der Spoel, Ph.D.
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone: +46184714205. Fax: +4618511755.
spoel at xray.bmc.uu.se spoel at gromacs.org http://folding.bmc.uu.se
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