MPI setting
How to enable parallel run on this computer?
type gpaw -P1 info
, returns
MPI enabled yes
scalapack yes
Elpa no
FFTW yes
type gpaw info
, returns
MPI enabled no
scalapack no (MPI unavailable)
Elpa no (MPI unavailable)
FFTW yes
type mpirun -V
, it returns Intel(R) MPI Library for Linux* OS
Now if I try to run it parallel with this command mpirun -n 48 python3
, the output txt file shows that only 1 core is calculating, but this command gpaw -P 48 python
the output txt file shows now 48 cores are doing the job, but the speed does not go faster much. What's going on? How should I fix this?