AMBER Archive (2001)

Subject: Ewalb bomb on SP3

From: Sanjeev B.S. (sanjeev_at_mbu.iisc.ernet.in)
Date: Sat May 05 2001 - 14:38:23 CDT

Hello,
        While running sander (AMBER6) on a 18,000 atom system (with array
sizes doubled the standard) I get the following error while running on
8-nodes. The same runs well on 2-nodes and 4-nodes.
        Can anyone suggest a wayt out please?

Thanks in advance,
-Sanjeev
PS: Err mesg:

 EWALD BOMB in subroutine ewald_list
  volume of ucell too big!!
 a regular restart should fix things
 EWALD BOMB in subroutine ewald_list
  volume of ucell too big!!
 a regular restart should fix things
 EWALD BOMB in subroutine ewald_list
  volume of ucell too big!!
 a regular restart should fix things