Re: [AMBER] AmberTools installation error

From: Jennifer L. Muzyka <jennifer.muzyka.centre.edu>
Date: Thu, 21 Jul 2011 14:34:44 +0000

Should I try GCC 4.4? (I'm running a Mac with OSX 10.5, using gcc45 selected with MacPorts.) After I was successful in getting AmberTools to install, I'm having new troubles with Amber 11. When I type make install, I get an error that says

gcc -O3 -D_FILE_OFFSET_BITS=64 -D_LARGEFILE_SOURCE -malign-double -DBINTRAJ -c pmemd_clib.c
cc1: error: unknown -malign-XXXXX option specified: 'double'
cc1: error: unrecognized command line option "-malign-double"
make[2]: *** [pmemd_clib.o] Error 1
make[1]: *** [install] Error 2
make: *** [serial] Error 2

I would appreciate any advice you can offer. Thanks.
Jennifer




On Jul 20, 2011, at 11:33 PM, Jason Swails wrote:

All of my testing on the Mac is done with GCC 4.4, since that was the stable
version when I first set up my computer (4.5 was experimental at the time),
and I've never traded up since all my MPIs are compiled with 4.4.
Therefore, I'm reasonably confident that MTK++ will compile with GCC 4.4,
even if it is non-compliant under the more strict gcc 4.5+.

I'll try it with some newer versions and see what I get.

All the best,
Jason

On Wed, Jul 20, 2011 at 2:28 PM, Jennifer L. Muzyka <
jennifer.muzyka.centre.edu<mailto:jennifer.muzyka.centre.edu>> wrote:

When I type "g++ -v", I get the following:
kimmy-strees-power-mac-g5:src kimmystree$ g++ -v
Using built-in specs.
COLLECT_GCC=g++

COLLECT_LTO_WRAPPER=/opt/local/libexec/gcc/ppc-apple-darwin9/4.5.3/lto-wrapper
Target: ppc-apple-darwin9
Configured with: ../gcc-4.5.3/configure --prefix=/opt/local
--build=ppc-apple-darwin9 --enable-languages=c,c++,objc,obj-c++,fortran,java
--libdir=/opt/local/lib/gcc45 --includedir=/opt/local/include/gcc45
--infodir=/opt/local/share/info --mandir=/opt/local/share/man
--datarootdir=/opt/local/share/gcc-4.5 --with-local-prefix=/opt/local
--with-system-zlib --disable-nls --program-suffix=-mp-4.5
--with-gxx-include-dir=/opt/local/include/gcc45/c++/ --with-gmp=/opt/local
--with-mpfr=/opt/local --with-mpc=/opt/local --enable-stage1-checking
--disable-multilib
Thread model: posix
gcc version 4.5.3 (GCC)

Thanks for the suggestion to add "-nomtkpp". It worked!!
Jennifer


On Jul 20, 2011, at 10:57 AM, David A Case wrote:

On Wed, Jul 20, 2011, Jennifer L. Muzyka wrote:

My configure command was ./configure -macAccelerate gnu. I previously
installed gcc45 using MacPorts and selected it as my gcc port, so that's
what I was using.

Weird. The workaround is to add "-nomtkpp" to the arguments to configure.
But just for sanity, can you report the result of typing "g++ -v"?

....thx...dac


_______________________________________________
AMBER mailing list
AMBER.ambermd.org<mailto:AMBER.ambermd.org>
http://lists.ambermd.org/mailman/listinfo/amber

Jennifer L. Muzyka
Professor of Chemistry
Centre College
600 West Walnut Street
Danville, KY 40422

jennifer.muzyka.centre.edu<mailto:jennifer.muzyka.centre.edu>
http://web.centre.edu/muzyka/




_______________________________________________
AMBER mailing list
AMBER.ambermd.org<mailto:AMBER.ambermd.org>
http://lists.ambermd.org/mailman/listinfo/amber




--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
_______________________________________________
AMBER mailing list
AMBER.ambermd.org<mailto:AMBER.ambermd.org>
http://lists.ambermd.org/mailman/listinfo/amber
Jennifer L. Muzyka
Professor of Chemistry
Centre College
600 West Walnut Street
Danville, KY  40422
jennifer.muzyka.centre.edu<mailto:jennifer.muzyka.centre.edu>
http://web.centre.edu/muzyka/
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Jul 21 2011 - 08:00:02 PDT
Custom Search