Re: Espressomd-users Digest, Vol 116, Issue 6

[chandra shekhar maurya]

If I want to run Jupyter-notebooks with Mpi, then how can I reduce the simulation time?

Thanks & Regards

Chandra Shekhar Maurya

Mechanical Eng. Dept.

Indian Institute of Technology Patna

Contact No:9793572837

On Thu, Sep 24, 2020 at 9:55 PM <espressomd-users-request@nongnu.org> wrote:

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Today's Topics:

   1. regarding reducing the simulation time (chandra shekhar maurya)
   2. Re: regarding reducing the simulation time (Rudolf Weeber)


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Message: 1
Date: Thu, 24 Sep 2020 19:45:04 +0530
From: chandra shekhar maurya <chandra15294@gmail.com>
To: espressomd-users-request@nongnu.org,
        espressomd-users-owner@nongnu.org
Cc: espressomd-users@nongnu.org
Subject: regarding reducing the simulation time
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        <CALf1gExvReh5qLFtFiUSgBud3Scs5eS+DXAt81nwOz1EGJ4FVQ@mail.gmail.com>
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Dear all,
I am simulating 11-ferrofluid_part1. When I increase equil_steps = 100000,
it is taking much time. How can I reduce the simulation time?
Please help. I will be highly obliged to you.



*Thanks & Regards*
Chandra Shekhar Maurya
Mechanical Eng. Dept.
Indian Institute of Technology Patna
Contact No:9793572837
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Message: 2
Date: Thu, 24 Sep 2020 17:31:24 +0200
From: Rudolf Weeber <weeber@icp.uni-stuttgart.de>
To: chandra shekhar maurya <chandra15294@gmail.com>
Cc: espressomd-users@nongnu.org
Subject: Re: regarding reducing the simulation time
Message-ID: <20200924153124.GB910401@icp.uni-stuttgart.de" target="_blank">20200924153124.GB910401@icp.uni-stuttgart.de>
Content-Type: text/plain; charset=us-ascii

Hi Chandra,
On Thu, Sep 24, 2020 at 07:45:04PM +0530, chandra shekhar maurya wrote:
> Dear all,
> I am simulating 11-ferrofluid_part1. When I increase equil_steps = 100000,
> it is taking much time. How can I reduce the simulation time?
> Please help. I will be highly obliged to you.
The algorithms used in the tutorial (in particular the dipolar P3M) are mpi-parallelized.
So, you can run the simulation on more than one core.
In theory, it is possible to run Jupyter-notebooks with Mpi, but the setup is likely non-trivial.
It is probably easier to save the tutorial as a Python file and run it using
mpirun -np 4 pypresso script.py

Regards, Rudolf




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