No, Espresso cannot be compiled without MPI. It used to be possible up
to version 3.3.1 where there was a “mpifake” implementation to mock MPI
capabilities. This has been removed in 4.0 .
Nevertheless, you can simply run Espresso without mpirun in which case
it will only use a single core, or you explicitly tell mpirun that you
only want a single core using
mpirun -n 1 ./pypresso ...
Kind regards, Henri
On 8/01/19 2:50 PM, Gil Claudio wrote:
> Hi all,
> Is there a way to compile espresso for single processor, i.e., turning off all MPI capabilities?