delara aghaie wrote:
Hello
In version 4.0.7 in .ll file, I use command line:
*mpiexec mdrun_mpi -v -s topol.tpr*
I get error which does noe recognize mdrun_mpi
I change it to mdrun and it works.
1) is the bold command line ok?
Only if you have (1) compiled with MPI support and (2) named the executable
accordingly.
2) version 4.0.7 does not need _mpi after commands?
You can name the executable whatever you like, with whatever suffix you choose
(or none at all, as the case may be).
-Justin
thanks
D.Aghaie
--
========================================
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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