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 <jebnor.gmail.com> 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 <case.biomaps.rutgers.edu> 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
>> AMBER.ambermd.org
>> http://lists.ambermd.org/mailman/listinfo/amber
>>
>
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Received on Wed Jul 21 2010 - 19:00:03 PDT
