[gmx-users] mdrun_mpi executable not found

Justin A. Lemkul jalemkul at vt.edu
Tue Jan 25 02:08:36 CET 2011

Justin Kat wrote:
> Thank you for the reply!
> hmm mdrun_mpi does not appear in the list of executables in 
> /usr/local/gromacs/bin (and well therefore not in /usr/local/bin).
> Which set of installation commands that I used should have compiled the 
> mdrun_mpi executable? And how should I go about getting the mdrun_mpi 
> executable at this point?

I see it now.  When you configured with --enable-mpi, you didn't specify 
--program-suffix=_mpi, so the installation procedure over-wrote your existing 
(serial) mdrun with an MPI-enabled one simply called "mdrun."  The configure 
output should have warned you about this.  You could, in theory, simply re-name 
your existing executable "mdrun_mpi" and then re-install a serial mdrun, if you 
need it.



Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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