[gmx-developers] Re: Can not invert matrix, determinant =

[Berk Hess]

Hi,

The server disk was full.
Could you try again now?

If it still doesn't work you can mail me the tpr file personally.

Berk

Leontyev Igor wrote:
>> Can you file a bugzilla and attach your tpr?
>> Thanks,
>
> I tried but there is an error again :)
>
> Bugzilla has suffered an internal error. Please save this page and
> send it
> to lindahl at sbc.su.se with details of what you were doing at the time this
> message appeared.
>
> URL: http://bugzilla.gromacs.org/
>
> Template->process() failed twice.
> First error: undef error - DBD::mysql::db selectall_arrayref failed: Got
> error 28 from storage engine
>
>> Dear gmx developers,
>> the error appears each time when I am trying to minimize structure
>> (protein+internal+external solvent). The initial structure is far away
>> from the minimum (there are some large forces), but it should not be a
>> problem, isn't it? I am able to do minimization of the same system by
>> gmx3.3.1 version.  What is the problem with 4.0.4 version? Below is the
>> error message:
>>
>>
>> Reading file CcO_4hcav_3Dch_E242side_OH-_O2-_PM.tpr, VERSION 4.0.4
>> (single
>> precision)
>> Steepest Descents:
>>   Tolerance (Fmax)   =  1.00000e+01
>>   Number of steps    =         1000
>>
>> -------------------------------------------------------
>> Program mdrun, VERSION 4.0.4
>> Source code file: ../../include/vec.h, line: 706
>>
>> Fatal error:
>> Can not invert matrix, determinant =
>
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