RE: amber-developers: minor (?) issues with amber10 (March 19-version)

From: Ross Walker <ross.rosswalker.co.uk>
Date: Thu, 20 Mar 2008 09:48:29 -0700

> ...Right, it is compiler-dependent: gfortran does not zero-initialize
> local arrays (and can't be told to unless $version >= 4.3).
> "Solution":
> Add the lines
>
> C --- zero-initialize neighnum() in case the compiler does not ---
> do i=1,MAXATOM
> neighnum(i) = 0
> enddo
>
> somewhere add the beginning of ${AMBERHOME}/src/etc/forFIRSTteth.f.
> This sems to work and doesn't hurt anyway.

Youch. This should certainly be considered a bug. Well done for spotting
this. I think it is pure chance that it worked with other compilers - we
should never be relying on a compiler to initialize any variable or array,
and definately shouldn't be adding flags to the compilers to do that since
it just encourages such bugs in the first place.

All the best
Ross

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|\oss Walker

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Received on Fri Apr 18 2008 - 21:12:36 PDT
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