AMBER: Sander Bomb in subroutine nonbond_list

From: Jingyuan Luke <>
Date: Tue, 10 Apr 2007 10:34:51 +0800

Dear all,

I had a user who had the following problem running AMBER 8's sander:

* NB pairs 203 143900 exceeds capacity ( 144000) 53
     SIZE OF NONBOND LIST = 144000
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 53, Process
12870 called MPI_Abort(<communicator>, 1)

MPI: --------stack traceback-------
sh: line 1: idb: command not found
MPI: -----stack traceback ends-----
MPI: MPI_COMM_WORLD rank 53 has terminated without calling MPI_Finalize()
MPI: aborting job

The binaries were compiled on a SGI Altix 4700 using Intel compiler 9 and
this is the first time we encounter this problem on the machine. I would
appreciate if someone would able to enlighten me on this. Thanks.



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Received on Wed Apr 11 2007 - 06:07:32 PDT
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