Problem with PPPM

Hi there,

I tried to run the attached input file with1-32 cores, but I get the following error (see also the putput.txt file attached):

“ERROR on proc 1: Out of range atoms - cannot compute PPPMDisp (…/pppm_disp.cpp:4300)”

Any idea?

Best Regards,

Jony

Dr Jony Castagna

Sci-Tech Daresbury

Keckwick Lane

Daresbury

Warrington

WA4 4AD

Tel.: +44 (0)1925 603682

in.lj (2.58 KB)

log.lammps (778 Bytes)

output.txt (7.65 KB)

Hi there,

  I tried to run the attached input file with1-32 cores, but I get the
following error (see also the putput.txt file attached):

“ERROR on proc 1: Out of range atoms - cannot compute PPPMDisp
(../pppm_disp.cpp:4300)”

Any idea?

​too infrequent neighbor list updates?​

axel

The Section errors.html page of the manual explains

this error.

Steve