RE: [AMBER-Developers] Goals for AMBER code format/style?

From: Ross Walker <>
Date: Sat, 28 Mar 2009 01:05:36 +0000

> I have a Perl script that runs ifort with implicit warnings enabled,
> parses the warning messages, and auto-generates declaration code. It is
> not fully automatic; you have to do one routine at a time, and manually
> insert the result into the source.
> In about 3 hrs, I was able to convert all code in src/sander to implicit
> none, and found some bugs in the process:
> relax_mat.f, subroutine remhet: This was using THIRD and SIXTH, but they
> were left out of the "use constants" statement, and were undefined.
> pupildata.f, deleting_qm_atoms: did not include "md.h", so NSPM, TMASS,
> TMASSINV were all undefined implicit vars.


All the best

|\oss Walker

| Assistant Research Professor |
| San Diego Supercomputer Center |
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Received on Sun Mar 29 2009 - 01:12:32 PDT
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