[gmx-users] Ewald sum.
oliver at biop.ox.ac.uk
Wed Jun 11 15:17:00 CEST 2003
Have you checked that your fftw library is the same that was used to
compile Gromacs against? Is fftw working on its own (in the original fftw
distribution there are some test cases, perhaps try these?)
On Wed, 11 Jun 2003, Lala wrote:
> 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?
On a sidenote, if I were you I'd make an effort to find your XDR header
files as xtc is too good to be missed. If you have nfs you have xdr.h
somewhere, I'd imagine. Once you found it put the directory in the include
flags when doing 'configure' (see configure --help).
Oliver Beckstein * oliver at bioch.ox.ac.uk
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