AMBER Archive (2002)

Subject: TI using sander on cluster

From: Joe Fernandez (joefern9999_at_yahoo.com)
Date: Mon May 06 2002 - 09:52:50 CDT

I am using sander to compute binding free energy. I
get the following message when I run program on 8
processor cluster:

***** Processor 4
***** Processor 5
***** Processor 6
***** System must be very inhomogeneous.
***** Readjusting recip sizes.
 In this slab, Atoms found: 557 Allocated:
 326

***** System must be very inhomogeneous.
***** Readjusting recip sizes.
 In this slab, Atoms found: 717 Allocated:
 326

***** System must be very inhomogeneous.
***** Readjusting recip sizes.
 In this slab, Atoms found: 474 Allocated:
 326

Program seems to be running well. What is the reason
for the message? Cluster nodes are composed of dual
Pentium III 600Mhz processors with 1/2 GB of memory.

Thanks.

__________________________________________________
Do You Yahoo!?
Yahoo! Health - your guide to health and wellness
http://health.yahoo.com