AMBER Archive (2008)

Subject: Re: AMBER: Problem compiling Amber with Intel 10 compilers - "undefined reference" errors

From: David A. Case (
Date: Mon Sep 08 2008 - 16:09:53 CDT

On Mon, Sep 08, 2008, Ben Roberts wrote:
> multisander.o(.text+0x3f): In function `MAIN__':
> : undefined reference to `ncsu_sander_hooks_mp_on_multisander_exit_'
> sander.o(.text+0x3d36): In function `sander_':
> : undefined reference to `ncsu_sander_hooks_mp_on_sander_init_'
> sander.o(.text+0x40be): In function `sander_':
> : undefined reference to `ncsu_sander_hooks_mp_on_sander_exit_'
> mdwrit.o(.text+0x26): In function `mdwrit_':
> : undefined reference to `ncsu_sander_hooks_mp_on_mdwrit_'
> force.o(.text+0x255): In function `force_.L':
> : undefined reference to `ncsu_sander_hooks_mp_on_force_'
> force.o(.text+0x2e0d): In function `force_.A':
> : undefined reference to `ncsu_sander_hooks_mp_on_force_'
> This occurs when trying to combine Sander's many object files into the
> sander executable.
> The compilation is known to work ok using the Fortran versions 9.1.037
> and 9.1.039. Is there any way around the problem in 10.1.015 (the
> version of Intel 10 I'm trying to use)?

Looks very odd to me. The 10.0.023 version of ifort (x86_64) works fine
for me, as did many earlier versions.

> In addition to running the configure_amber script with the
> "ifort_x86_64" argument, I have made the following changes to the
> config_amber.h file:
> - Replaced references to "gcc" with "icc" (using the Intel C compiler
> 10.1.015 - the 64-bit version)
> - Replaced references to "g++" with "icpc"
> - Replaced references to "cpp" with "fpp" and took out the
> "-traditional" option

Why are you making the above changes? The compiler probably won't hurt (it
won't help either), but changing cpp to fpp could lead to funny behavior -- it
would certainly be untested behavior, since amber developers would certainly
be testing the stock install.


The AMBER Mail Reflector
To post, send mail to
To unsubscribe, send "unsubscribe amber" (in the *body* of the email)