[gmx-users] gmx with openmpi installed not on root

Justin Lemkul jalemkul at vt.edu
Fri May 4 20:17:07 CEST 2018

On 5/4/18 2:15 PM, Dariush Mohammadyani wrote:
> Hi All,
> How can I install gromacs with an openmpi installed in a non-standard path
> (not on root)?
> Our compute node does not have access to the root.

Tell cmake where to find it with -DCMAKE_C_COMPILER=/path/to/your/mpicc



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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