AMBER Archive (2009)

Subject: Re: [AMBER] problem compiling nmode.c

From: David A. Case (
Date: Tue Feb 17 2009 - 20:45:03 CST

On Tue, Feb 17, 2009, Shan-ho Tsai wrote:
> I'm trying to build AmberTools 1.2 on an AIX 5.2 box,
> using gcc 3.3.2 (gcc 4.1.2 gave the same errors), and
> I am getting an error compiling nmode.c:
> gcc -c -DBINTRAJ -o nmode.o nmode.c
> nmode.c: In function `lnorm':
> nmode.c:1172: error: `__I' undeclared (first use in this function)
> nmode.c:1172: error: (Each undeclared identifier is reported only once
> nmode.c:1172: error: for each function it appears in.)
> make: 1254-004 The error code from the last command is 1.
> The system does have /usr/include/complex.h, but it
> must be non-standard.
> So I added -DUSE_AMBER_C9XCOMPLEX to the compilation
> flag to use the local complex.h and then I got many other
> errors:
> gcc -c -DBINTRAJ -DUSE_AMBER_C9XCOMPLEX -o nmode.o nmode.c
> In file included from nmode.c:6:
> complex.h:101: error: parse error before '(' token
> complex.h:101: error: conflicting types for `atan2'

Certainly is weird. A workaround: comment out the lnorm() function, the
one call to it, and the include of complex.h. This should get the basic
nmode functionality working. We'll try to get a version of nmode done
soon that does not use complex arithmetic.


AMBER mailing list