[gmx-users] Error when compiling 2019.2 with -DGMX_MPI=ON

Dallas Warren dallas.warren at monash.edu
Wed May 8 03:08:13 CEST 2019

Thanks Mark, I just needed a nudge in the right direction.

The MPI wrapper compilers on my system were located in

Just had to point to them using:

And off it went.

Catch ya,

Dr. Dallas Warren
Drug Delivery, Disposition and Dynamics
Monash Institute of Pharmaceutical Sciences, Monash University
381 Royal Parade, Parkville VIC 3052
dallas.warren at monash.edu
When the only tool you own is a hammer, every problem begins to resemble a nail.

On Tue, 7 May 2019 at 17:16, Mark Abraham <mark.j.abraham at gmail.com> wrote:
> Hi Dallas,
> The install guide tries to provide the hint to use the MPI wrapper
> compilers (mpicc and mpicxx) that are installed alongside the MPI package
> you installed (but maybe as part of the *mpi-dev package) . Perhaps we can
> make that more clear. (And if you do, there's no need to set GMX_MPI, as
> the build system will see what your intent is.) The symptoms you report
> look very much like those that mpicc will handle internally.
> Mark
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