[gmx-users] Is there a bug for g_anaeig?

[Tsjerk Wassenaar]

Hi,

I had noticed it too, but (in the rush) haven't looked into it
anymore. To me it also appeared to be a bug. Please provide some input
which reproduces it and file a bugzilla.

Tsjerk

On Wed, Jul 30, 2008 at 8:42 AM, David van der Spoel
<spoel at xray.bmc.uu.se> wrote:
> G.H. Zuo wrote:
>>
>> Hello everyone,
>>
>> I used g_anaeig to analyzes eigenvectors of covariance matrix(PCA, by
>> g_covar). But it seem that, the program g_anaeig in the gromace 3.3.3 is not
>> work right. There is a segmentation fault.  The output is like that:
>>
>> ........
>> trn version: GMX_trn_file (single precision)
>> Read non mass weighted reference structure with 47 atoms from eigenvec.trr
>> Read non mass weighted average/minimum structure with 47 atoms from
>> eigenvec.trr
>> Segmentation fault
>>
>> Interestingly, the program in the 3.3.1 works well.  Is there a bug or
>> something else in
>> this program?
>
> please give more information. do you pass it a tpr file or index file with
> different (lower) number of atoms?
>
> if this is not the case you are welcome to submit a bugzilla.
>>
>> Thanks
>>
>> G.H. Zuo
>>
>>
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>>
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>
> --
> David van der Spoel, Ph.D., Professor of Biology
> Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
> Box 596, 75124 Uppsala, Sweden. Phone:  +46184714205. Fax: +4618511755.
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-- 
Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
Utrecht University
Padualaan 8
3584 CH Utrecht
The Netherlands
P: +31-30-2539931
F: +31-30-2537623