[gmx-users] Ewald sum./Open BSD

David van der Spoel spoel at xray.bmc.uu.se
Wed Jun 11 15:11:01 CEST 2003

On Wed, 2003-06-11 at 15:08, Lala wrote:
>  Hello.
> When I set Ewald sum as a coul. type in grompp file
> and then run mdrun, it crashes 
> and dumpes core. So it does with PME, PPME
> switched on. But goes normaly with coul. type "Cut-off". Why?
> I run GMX on OpenBSD. During compilation 
> i've got only one error cennected with XDR headers,
> and then assebled GMX without thinking about it
> ( 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?

VBut normal ewald doesn't use it. How about your math library? Does it
have working erf and erfc?
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David van der Spoel <spoel at xray.bmc.uu.se>

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