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[ESPResSo-devel] conversion to python
From: |
Ivan Cimrak |
Subject: |
[ESPResSo-devel] conversion to python |
Date: |
Thu, 4 May 2017 15:49:17 +0200 |
User-agent: |
Mozilla/5.0 (Macintosh; Intel Mac OS X 10.12; rv:45.0) Gecko/20100101 Thunderbird/45.8.0 |
Hi guys,
During the python transition of object-in-fluid part of Espresso, we
encountered some discrepancies in LB computations. We got different
results for the movement of particles in LB fluid when computed with tcl
version and python version. This lead us to design a simple experiment
with plain Espresso without object-in-fluid: We put one particle in LB
fluid, move LB fluid with ext_force and output the position after 500
steps. We got different x-coordinate of the particle, the difference was
around 0.1 percent. (instead of 6.19593 we got 6.19105, for example.)
Here are the steps that we did:
1. download the current (today's) versions of master branch (commit
6cbef0e) and python branch (commit 272a361).
2. install tcl version using: bootstrap.sh, configure
--without-python-interface, myconfig.hpp with EXTERNAL_FORCES and LB, make
3. install python version using: create myconfig.hpp with
EXTERNAL_FORCES and LB, cmake -DPYTHON_EXECUTABLE=$(which python), make
4. run the attached 018lb-test.tcl and 018lb-test.py
The differences are too high to ignore. Do I miss anything?
Thanks,
Ivan
018lb-test.py
Description: Text Data
018lb-test.tcl
Description: Tcl script
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