Closed srmnitc closed 4 years ago
Yes, I did not have the time to test it yet.
Btw. Are you at ICAMS today?
I am not now, I am working from home nowadays. But I will come around 13.00 - I have meetings from 14.00
Are you around?
We have a PhD defense today, that is why I am at ICAMS, but I do not think I am going to stay till 13:00 - so maybe it is easier to meet another day.
Yeah, I do not think I will be able to make it before that. Let's meet another day then!
Ok, I get the point why it is not working - it is basically waiting for the connection of the client before it continuous.
I tired to separate the connect part - https://github.com/pyiron/pylammpsmpi/commit/1f25daef8a7b4c997de38dcc4f8719cdf73a22c0
A little bit busy with some other things - I will contribute more soon! sorry!
In terms of using higher level libraries and not reinventing the wheel, we should consider using dask for socket communication: https://distributed.dask.org/en/latest/communications.html
Yeah, we could play around with it. I use dask quite a bit in my normal work. This might also be of interest. https://distributed.dask.org/en/latest/actors.html
On Tue, Mar 31, 2020, 07:59 Jan Janssen notifications@github.com wrote:
In terms of using higher level libraries and not reinventing the wheel, we should consider using dask for socket communication: https://distributed.dask.org/en/latest/communications.html
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@jan-janssen A combination of dask-distributed and dask-jobqueue looks promising. I have started a new branch. It is all clunky at the moment, but when things shape up I will update you.
This might even be interesting beyond the Lammps interface, like having a generic interface for connecting to calculators via sockets.
Yeah, I am super excited to get this working. I went for two workshops organised by ECAM in which they covered dask. I briefly discussed with one of the guys here at Julich. If we need more help, that would also be possible I think. Let us see how it goes.
Of course this issue would then be closed if we merge #32
When using socket as communicator, the creation of the object seems to get stuck on
hostsocket, _ = s.accept()
- Line 85 fromcommunicate.py