[gmx-users] gmx_mpi -nt

[Justin Lemkul]

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

-- 
==================================================

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
http://www.thelemkullab.com

==================================================