Dear Dakshesh,

thanks for your mail. 
Regarding your problem you could first try to switch on logging while running 
the simulation. 
Its explained here:
https://tkwant.kwant-project.org/doc/dev/tutorial/logging.html
Maybe you get some more specific error message from that.

I would also suggest to not prebind parameters via 
"kwant.operator.Density(..).bind(params)".
There was some issue with this kwant operator binding and tkwant should even 
complain
when evaluating such an operator, if I remember correctly.

Finally, if the problem persists, you could also send a mininal example which 
still reproduces the error to the list,
in order to have a closer look.

Best,
Thomas



________________________________________
From: dakshesh.kololg...@imperial.ac.uk [dakshesh.kololg...@imperial.ac.uk]
Sent: Sunday, March 28, 2021 3:09 AM
To: kwant-discuss@python.org
Subject: [Kwant] Memory error while using tkwant

Dear users,

I am a Physics Masters student and am using tkwant to simulate braiding 
(adiabatic exchanging) of Majorana fermions in a 2D system. Currently, even for 
the smallest systems, although these do work using Jupyter, I get a memory 
error when using my university's HPC supercomputer and MPI ranks. Also, when 
running simulations on Jupyter notebook (supercomputer client) any large-ish 
system never actually completes.
More specifically, my issue seems to lie with 'wave_function.evolve' and 
'wave_function.evaluate' for the time for loop.

density_operator = kwant.operator.Density(syst, np.eye(8)).bind(params=params)
wave_function = manybody.WaveFunction(psi_init, tasks)
for time in times:
    wave_function.evolve(time)
    density = wave_function.evaluate(density_operator)
    densities.append(density)
    plt.plot(sites, density - density0, label='time={}'.format(time))

In my system, I have 4 time-dependent gates and they are supposed to turn on 
and off according to what time the system is in. I have used 'if' statements to 
specify when the gates should be on or off.

If anyone can help it would be of great help. Thank you.

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