גדעון לפידות wrote:
Hi all,
I have recently installed Ubonto on my computer (i5 processor) and
installed gromacs 4.0.7. I have installed openmpi and fftw but when
using mpirun command instead of getting parallel processes it simply
runs the same job four times simultaneously. How do I make the necessary
adjustments.
Properly compile an MPI-enabled mdrun. Since you've provided no detail on how
you did the installation, the only thing to suggest is that you've done
something wrong. Follow the installation guide:
http://www.gromacs.org/Downloads/Installation_Instructions
Alternatively, use the newest version of Gromacs (4.5.3), which uses threading
for parallelization instead of requiring external MPI support.
-Justin
Thanks,
Gideon
--
========================================
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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