Nick wrote:
Hello all,
When I issue mdrun program for EM altough this is not a parallel
simulation, 6 nodes are getting involved.
I am using 4.5.3 and get the error:
Reading file em-l0.5.tpr, VERSION 4.5.3 (single precision)
Starting 16 threads
Does anyone have idea why is this happening?
mdrun now uses thread-based parallelization by default, using all available
nodes. To suppress this effect, use mdrun -nt 1. Otherwise, yes, it is a
parallel calculation :)
-Justin
Thanks
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
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