Here I would like to seek a help of explanation. Why
my simulation terminates by itself saying that SANDER
BOMB.. The actual message as below:
* NB pairs 170 71962 exceeds capacity
( 72000) 52
SIZE OF NONBOND LIST = 72000
SANDER BOMB in subroutine nonbond_list
Non bond list overflow!
check MAXPR in locmem.f
MPI: On host sgi4700, Program /apps/amber8/exe/sander,
Rank 52, Process 3237 called MPI_Abort(<communicator>,
1)
MPI: --------stack traceback-------
sh: line 1: idb: command not found
MPI: -----stack traceback ends-----
MPI: MPI_COMM_WORLD rank 52 has terminated without
calling MPI_Finalize()
MPI: aborting job
...............................................
How to overcome this problem??
Thank you
Vijyan.m
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Received on Sun Apr 22 2007 - 06:07:21 PDT
