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

[Dallas Warren]

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

The MPI wrapper compilers on my system were located in
/usr/lib64/mpi/gcc/openmpi/bin

Just had to point to them using:
-DCMAKE_C_COMPILER=
-DCMAKE_CXX_COMPILER=

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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