AMBER Archive (2000)

Subject: A problem with "inhomogeneous'

From: Wen Li (liw_at_pauling.ncifcrf.gov)
Date: Mon Oct 30 2000 - 13:11:22 CST

To Whom This May Concenr,
 
While we run simulations with explicit water-ions using multiple
processors such as 4 processors, the jobs were always killed after a few
hunderd PS by telling the following information at the end of the output
files:

> EWALD BOMB in subroutine ew_recip/grid_weights
> nmine exceeds num_ks
> System must be very inhomogeneous. Cannot continue.
>
> I would highly appreciate if you could help this problem.
>

Sincerely
 
Wen Li
National Cancer Institute/NIH