Dear Adel thanks a lot. very useful. Best
https://www.avast.com/sig-email?utm_medium=email&utm_source=link&utm_campaign=sig-email&utm_content=webmail Garanti sans virus. www.avast.com https://www.avast.com/sig-email?utm_medium=email&utm_source=link&utm_campaign=sig-email&utm_content=webmail <#DAB4FAD8-2DD7-40BB-A1B8-4E2AA1F9FDF2>
Le lun. 7 sept. 2020 à 16:17, Abbout Adel firstname.lastname@example.org a écrit :
The post by Christoph you are referring to is just a reflection and an invitation to think about parallelization in kwant. It is not implemented in kwant. As the error message suggests, there is no argument "comm=MPI.COMM_WORLD" in the scattering matrix.
If you want to run your code in parallel, you can do a simple change in your code as follows:
import numpy as np import kwant from mpi4py import MPI comm = MPI.COMM_WORLD rank = comm.Get_rank() nprocessor = comm.size
def make_sys(): ..... ..... return sys.finalized()
T= for energy in energies: Sm=kwant.smatrix(sys,energy=energy) T.append(Sm.transmission(0,1))
########## So, your code will return a number "nprocessor" .npy files of the transmission, each one of them is for a range of energies.
I hope this helps Adel
On Sun, Sep 6, 2020 at 2:43 PM Adel Belayadi email@example.com wrote:
Dear user I hope you are doing well. I am having troubles when using parallel distribution to run my python script using kwant.
I went through kwant discuss mailing list and tried to read about similar issues. I have red for instance the comment made by hristoph Groth Mon, 08 *Aug 2016 08:12:46 -0700.*
*add "from mpi4py import MPI" in the preamble,• substitute kwant.smatrix(…) -> kwant.smatrix(…, comm=MPI.COMM_WORLD), • execute the script using "mpiexec", *
I have got an error while using kwant.smatrix(comm=MPI.COMM_WORLD). kwant does not recognize comm
TypeError: got an unexpected keyword argument 'comm'
I have also tried without comm but with the following command OMP_NUM_THREADS=1 mpiexec -n 4 python file.py or mpirun.openmpi -n 4 -x OMP_NUM_THREADS=1 python file.py
but I got the result 4 times
-- Abbout Adel