[gmx-users] Ewald sum./Open BSD

[gmx at 4ka.mipt.ru]

some addons:
with gdb i have the following

<skiped>

Back Off! I just backed up md.log to ./#md.log.2#
Reading file topol.tpr, VERSION 3.1.4 (single precision)
Reading file topol.tpr, VERSION 3.1.4 (single precision)

Back Off! I just backed up ener.edr to ./#ener.edr.2#
starting mdrun 'Silica'
200000 steps,    200.0 ps.


Program received signal SIGSEGV, Segmentation fault.
0x7a8ad in tabulate_eir ()



On Wed, 11 Jun 2003 gmx at 4ka.mipt.ru wrote:

> >> ( so, now i dont use xtc formats for traj.)
> >> Can it be the reason for crashing mdrun?
>
> >not likely., How  about fftw? did you compile yourself?
>
>  I have fftw-2.1.3 installed.
>  I compiled it from ports .
>
> >
> > VBut normal ewald doesn't use it. How about your math library? Does it
> > have working erf and erfc?
>
>    It seems to work properly at first sight...
>
> <skiped>
> 						lala
>
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