Re: problem compiling NAMD2.6 in a MacOSX-PPC

From: Peter Freddolino (
Date: Fri Jun 20 2008 - 08:16:56 CDT

Hi Andrea,
if you're interested in building namd from scratch, you need to get the
source tarball (which includes the source code, Make.charm, /arch, and
so on). The platform-specific tarballs are only binary releases. You can
find the source download and the bottom of the same list as the binaries.

As far as the charm build issue (although this should not be a problem,
as you should be able to use the precompiled build of charm++), can you
verify that xlc is in your path and that xlC_r does indeed call the
compiler on your system? I've seen many xlc setups with slightly
different commands used to call the compiler.


Andrea Diaz wrote:
> Hello all,
> I have a problem compiling NAMD2.6 in a MacOSX-PPC cluster and I am
> wondering if somebody can help me. I tried to follow the steps from
> the NAMD2.6 Release Notes and the notes.txt file from the source
> NAMD2.6 directory. This is what I have done:
> 1. Information of my system: Darwin CAT 8.11.0 Darwin Kernel Version
> 8.11.0 Power Macintosh powerpc
> 2. I downloaded the *NAMD_2.6_MacOSX-PPC* files from
> 3. I downloaded and unpaked the *tcl-macosx-ppc.tar.gz* and
> *fftw-macosx-ppc.tar.gz libraries*
> 4. I download and unpaked the latest precompiled version of charm++ :
> *charm-mpi-darwin-ppc-gm-gcc.tar.gz*
> /Then I tried to set up the build directory and compile NAMD but I
> couldn't find the Make.charm , /arch/ folder and the ./config
> executable
> /
> 5. After my failed intent to use the pre-compiled version of charm, I
> tried to compiled by myself. I downloaded and unpacked charm-5.9.tar.gz
> I was compiling it for myranet and I know *I have the xlc
> compiler* instaled on this system, then I used:
> * ./build charm++ mpi-ppc-darwin xlc
> --basedir/Users/Shared/mpich-gm/ -O -DCMK_OPTIMIZE=1 *
> / it give me the following error (at the end) :/
> *...
> **make headerlinks
> ./configure
> checking machine name... mpi-ppc-darwin-xlc
> set C++ compiler as: xlC_r -qstaticinline
> checking "whether C++ compiler works"... "no"
> Cannot compile C++ programs with xlC_r -qstaticinline
> (check your charm++ version)
> make[1]: *** [conv-autoconfig.h] Error 1
> make: *** [headers] Error 2
> -------------------------------------------------
> Charm++ NOT BUILT. Either cd into mpi-ppc-darwin-xlc/tmp and try
> to resolve the problems yourself, visit
> */Then, It didn't work either
> /Could anybody please tell me what I am missing with the precompiled
> version of charm++ in order to be able to compile NAMD
> or
> What is wrong with my compilation of Charm-5.9 ?
> I appreciate any help
> Andrea

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