[AMBER] parallel error

From: najmul arfin <syednajmularfin.gmail.com>
Date: Sun, 2 Sep 2012 14:09:50 +0530

hi users,
my problem is..
when i am using NVT for rasising temperature in serial version of
AMBER everything is fine but when i am using parallel version with 8
processors..i am getting messages like
***** Processor 2
***** System must be very inhomogeneous.
***** Readjusting recip sizes.
 In this slab, Atoms found: 6221 Allocated: 5760

***** Processor 5
***** System must be very inhomogeneous.
***** Readjusting recip sizes.
 In this slab, Atoms found: 6499 Allocated: 5760

though md.out file seems to be okay and i don't see any vaccum/bubbles..

so what can be the possible reason ..or how it can be resolved....or
should i take these msg normally due to distribution of jobs



-- 
NAJMUL ARFIN
Research  Scholar
SCHOOL OF PHYSICAL SCIENCES,
JAWAHARLAL NEHRU UNIVERSITY,
NEW DELHI -110067
+919910040525
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Sun Sep 02 2012 - 02:00:02 PDT
Custom Search