Re: [AMBER] Workaround for gfortran-4.1.2?

From: Marc Moreau <>
Date: Wed, 21 Jul 2010 19:38:38 -0600

Thanks for the pointer Mark. I ended up having to do that. I
compiled gcc-4.4.4 then mpich2-1.2.1p1 then then Amber 11. Only at
that point did Amber pass all the tests.

I'll post the full rundown of what I did if anyone would like.

-- Marc

On Tue, Jul 20, 2010 at 7:39 PM, Marc Moreau <> wrote:
> In my searching earlier, there was a bug for it, but alas I couldn't
> get in the bugzilla, and now I can't find the reference.  A really low
> bug id ( two digits ) if that helps any.
> -- Marc
> On Tue, Jul 20, 2010 at 7:31 PM, case <> wrote:
>> On Tue, Jul 20, 2010, Marc Moreau wrote:
>>> I am trying to compile against gcc-4.1.2 which includes the buggy
>>> gfortran-4.1.2.
>>> I'm trying to compile with -O2 instead of the default -O3. Does anyone
>>> know of any other things to try, or specific compiler flags that allow
>>> a work-around of the buggy section in fortran?
>> In addition to what Mark Williamson suggested, you might consider just living
>> with the defects of 4.1.2.  As far as I remember (others can chime in here),
>> only the ABMD stuff in sander is broken.  If that is true, and you don't plan
>> to use that option, you might be able to live with the older compiler.
>> If there are other problems with 4.1.2, let me(us) know -- we should probably
>> set up a web page listing these.
>> ...dac
>> _______________________________________________
>> AMBER mailing list

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Received on Wed Jul 21 2010 - 19:00:03 PDT
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