Re: [AMBER-Developers] Scalar vs. array mix-up in QMGB

From: Ben Roberts <>
Date: Fri, 12 Feb 2010 13:32:00 -0500

Right you are. I got colons and commas confused in my head.

I didn't get any warnings when I tried that, but I got a whole bunch of
new errors complaining about scalars vs arrays in different routines.
Then I decided to rebuild the whole thing, to tackle a different problem
(a crash that went into bug #124 on the Bugzilla). I'll look into this
one more later. I haven't made any changes in CVS as yet.


case wrote:
> On Thu, Feb 11, 2010, Ben Roberts wrote:
>> call subroutine qmgb_calc_mm_pot ( ...
>> qmmm_scratch%qm_real_scratch(1,natom),
>> qmmm_scratch%qm_real_scratch(natom+1,2*natom) ... )
> I think you want scratch(1:natom) here, not "1,natom". Be sure to have
> maximum warnings set, because lots depends on what interface the subroutine
> sees.
> ....dac

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Received on Fri Feb 12 2010 - 11:00:02 PST
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