[gmx-developers] head mdrun broken?

hess at sbc.su.se hess at sbc.su.se
Mon Dec 21 20:11:06 CET 2009


Hi,

There were many issues, but I think I have fixed them all,
both for tpx and cpt.

Berk

> Hi,
>
> This is exactly the problem I mailed Michael Shirts about a few days ago.
> I think he placed back the xi i/o line, but with double iso real.
> You can fix it, or wait till Michael fixes it.
>
> Berk
>
>> Hi,
>>
>> there seems to be a problem with the current head version;
>> I get a segmentation fault when I read in a tpr file. It happens
>> at tpxio.c line 1978, ndo_double(state->nosehoover_xi ...
>> Maybe this is already dealt with.
>>
>> Carsten
>>
>>
>>
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