AMBER Archive (2008)

Subject: Re: AMBER: compilation problem

From: David A. Case (case_at_biomaps.rutgers.edu)
Date: Sat Sep 27 2008 - 07:29:53 CDT

On Fri, Sep 26, 2008, Manikandan Chandrasekaran wrote:

> I just happened to complete the installation of  AmberTools 1.2 and  Amber10
> on Solaris10 X86.
>
> (Edited the code in configure_at file present in $AMBERHOME/src/
> from gfortran/g77 to g95.

Be sure to test the resulting mopac executable fully! It may appear to
compile correctly, but still give wrong answers. The reason we don't
have the configure script check for g95 is that this compiler doesn't
seem to work on this code (at least in our hands).
>
> *There was this _IMAGINARY_I (not defined)problem,

We are working to remove all references to complex variables. I hope
Yannick can get this done soon, and we can put this problem to rest.
For now, adding -DUSE_AMBER_C9XCOMPLEX to the compiler flags should
help.

>
> * Then after this, a new bug came in the form of undefined symbol
> fabs...symbol processing errors!

This looks like a bug: I think there should be an "#include <math.h>" in
common.c. (Maybe someone can check the C standard on this, as many of
my books are still packed up.)

...dac 

-- 

================================================================
David A. Case                     | email:                      
BioMaPS Institute and Dept. of    |     case_at_biomaps.rutgers.edu
    Chemistry & Chemical Biology  |    fax:      +1-732-445-5958
Rutgers University                |    phone:    +1-732-445-5885
610 Taylor Rd.                    |                             
Piscataway, NJ 08854-8087   USA   | http://casegroup.rutgers.edu
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