AMBER Archive (2009)

Subject: Re: [AMBER] amber 10 test failures...

From: Jason Swails (jason.swails_at_gmail.com)
Date: Mon Nov 02 2009 - 18:19:43 CST

The same named bug was happening on a Mac with gfortran 4.5.0 (or something
like that). Did you try recompiling with a lower optimization? (i.e.
dropping from -O3 to -O2 was enough to get my problem module compiled).

All the best,
Jason

On Mon, Nov 2, 2009 at 7:11 PM, Mark Williamson <mjw_at_sdsc.edu> wrote:

> Ross Walker wrote:
>
>> Hi Peker,
>>
>> ** NCSU-Error ** : expected list value for key 'i', got '<EMPTY>' instead
>>
>> I suspect this is because they use some new namelist option in the input
>> files that your compiler is not supporting. That said I am sure others
>> have
>> used gfortran 4.1.2 and have not seen this problem. The nice thing at
>> least
>>
>
> This is specific to the gfortran 4.1.2 compiler; I see it on my RHEL4
> desktop machine. I think it is some form of compiler bug; I do not see this
> issue with ifort or later versions of gfortran.
>
> The error message is being emitted by the type_mismatch() routine, which I
> think has been called by node_lookup_list() which has been called by
> colvar_mdread() whilst I think parsing the section:
>
> # list of participating atoms
> i = (1, 5, 8, 10, 12, 29, 31, 33, 41,
> 43, 53, 55, 57, 59, 70, 72, 74,
> 84, 86, 88, 91, 93, 95, 105, 107,
> 109, 129, 131, 133, 136)
>
> of the test/ncsu/abmd_ANALYSIS/mdin file. I had a look at this a while ago
> with the aim to generating some form of workaround, but I could not
> ascertain what specifically was causing it. I've started to look into it
> again, but I'm not sure how much joy I will have: compiler bugs are a real
> time sink.
>
> --
> Mark Williamson, Post Doc
> Walker Molecular Dynamics Group
> Room 395E
> San Diego Supercomputer Center
> 9500 Gilman Drive
> La Jolla, CA 92093-0505
> Email: mjw at sdsc.edu
> Office: 858-246-0827
>
> _______________________________________________
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> http://lists.ambermd.org/mailman/listinfo/amber
> 

-- 
---------------------------------------
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-4032
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