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..
i am also attaching md1.in file
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
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- application/octet-stream attachment: md1.in
Received on Sun Sep 02 2012 - 02:00:02 PDT
