AMBER Archive (2008)

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

From: David A. Case (case_at_biomaps.rutgers.edu)
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.

...dac

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