[gmx-users] gmx_mpi -nt

Justin Lemkul jalemkul at vt.edu
Mon Apr 23 23:38:53 CEST 2018

On 4/23/18 4:55 PM, Alex wrote:
> Dear all,
> My gxm_mpi works fine, however, due to the doman decompistion error of a
> system of mine, I want to use the *gmx_mpi mdrun with -nt XXX*, but the
> gromacs states that I can not use -nt as gromacs builds without thread-mpi,
> so, I was wondering which flag I should use in compilation of gromacs to be
> able to use gmx_mpi with -nt option?

It's the default behavior. If you want it, don't compile using an 
external MPI library.



Justin A. Lemkul, Ph.D.
Assistant Professor
Virginia Tech Department of Biochemistry

303 Engel Hall
340 West Campus Dr.
Blacksburg, VA 24061

jalemkul at vt.edu | (540) 231-3129


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