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Code refactor mamico #273

Merged
merged 53 commits into from
Sep 8, 2023
Merged

Code refactor mamico #273

merged 53 commits into from
Sep 8, 2023

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amartyads
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Description

Added the necessary functionality and documentation for coupling ls1 to mamico. The simulation loop has been separated to enable step-by-step progression of simulation, a plugin has been added and updated, and the build process has been altered to allow building ls1 as a library.

How Has This Been Tested?

Multiple runs with Mamico in a variety of hardware and scenarios on ls1 side

When same code is tested with clang (at all optimization levels)
and with gcc optimization O0, the code runs bugfree, but with
gcc O3 a segfault occurs when the cell service is accessed. This is a
workaround pending more investigation, however it is not known whether a
better solution exists yet.
Comment on lines +1218 to +1223
/*
ensemble.updateGlobalVariable(ENERGY);
global_log->debug() << "Kinetic energy in the Ensemble: " << ensemble.E() << endl;
ensemble.updateGlobalVariable(TEMPERATURE);
global_log->debug() << "Temperature of the Ensemble: " << ensemble.T() << endl;
*/

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Commented-out code Note

This comment appears to contain commented-out code.
cmake/modules/mamico.cmake Outdated Show resolved Hide resolved
src/CMakeLists.txt Outdated Show resolved Hide resolved
src/parallel/DomainDecomposition.cpp Outdated Show resolved Hide resolved
src/plugins/MamicoCoupling.cpp Outdated Show resolved Hide resolved
src/plugins/MamicoCoupling.cpp Outdated Show resolved Hide resolved
src/plugins/MamicoCoupling.cpp Outdated Show resolved Hide resolved
src/plugins/MamicoCoupling.h Outdated Show resolved Hide resolved
src/Simulation.cpp Outdated Show resolved Hide resolved
src/Simulation.cpp Outdated Show resolved Hide resolved
src/parallel/DomainDecomposition.cpp Outdated Show resolved Hide resolved
src/parallel/DomainDecomposition.h Outdated Show resolved Hide resolved
src/plugins/MamicoCoupling.cpp Outdated Show resolved Hide resolved
src/CMakeLists.txt Outdated Show resolved Hide resolved
@FG-TUM FG-TUM merged commit d53652e into master Sep 8, 2023
51 checks passed
@FG-TUM FG-TUM deleted the code-refactor-mamico branch September 8, 2023 08:54
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2 participants