[gmx-developers] Segfault during EM in recent git version

[Jochen Hub]

Berk Hess wrote:
> Jochen Hub wrote:
>   
>> Yes, I have finite cut-offs:
>>
>> coulombtype              = Cut-off
>> rcoulomb-switch          = 0
>> rcoulomb                 = 1
>>
>> vdw-type                 = Cut-off
>> ; cut-off lengths      rvdw-switch              = 0
>> rvdw                     = 1
>>
>> and
>>
>> pbc                      = xyz
>>
>> I just tried with PME and vdw-type = Shift and Switch, same result.
>> With vdw Switch I also get Segfault (but this time after a few lincs
>> warnigs) with the 405 from a few weeks ago, so I somehow feel that
>> this is the same problem. Running in gdb yields a segfault
>> immediately, with asimilar error in the nb-kernel:
>>
>> Program received signal EXC_BAD_INSTRUCTION, Illegal instruction/operand.
>> 0x005cc6d5 in nb_kernel_ia32_3dnow_test_asm ()
>>
>> Cheers,
>> Jochen
>>     
>
> Could you file a bugzilla?
> Please include all input files to grompp and also add the log file for
> the problematic run.
> Is this a completely standard serial (non-parallel) simulation?
>   

Yes, that's a serial run.

> Berk
>
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-- 
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Dr. Jochen Hub
Molecular Biophysics group
Dept. of Cell & Molecular Biology
Uppsala University. Box 596, 75124 Uppsala, Sweden.
Phone: +46-18-4714451 Fax: +46-18-511755
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