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dyzhengdyzheng
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Merge pull request #839 from pxlxingliang/develop
test: add the unit test of parallel diagonalization by ELPA
2 parents 69cd9f9 + 208121f commit c2b87a1

13 files changed

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-0
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‎source/src_pdiag/CMakeLists.txt‎

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@@ -22,3 +22,7 @@ add_library(
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pzt2s.cpp
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diag_scalapack_gvx.cpp
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)
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IF (BUILD_TESTING)
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add_subdirectory(test)
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endif()

‎source/src_pdiag/test/CMakeLists.txt‎

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AddTest(
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TARGET hsolver_diago_elpa
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LIBS ${math_libs} ELPA::ELPA
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SOURCES diago_elpa_test.cpp
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)
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install(FILES H-KPoints.dat DESTINATION ${CMAKE_CURRENT_BINARY_DIR})
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install(FILES H-GammaOnly.dat DESTINATION ${CMAKE_CURRENT_BINARY_DIR})
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install(FILES S-KPoints.dat DESTINATION ${CMAKE_CURRENT_BINARY_DIR})
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install(FILES S-GammaOnly.dat DESTINATION ${CMAKE_CURRENT_BINARY_DIR})
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install(FILES H-KPoints-large.dat DESTINATION ${CMAKE_CURRENT_BINARY_DIR})
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install(FILES H-GammaOnly-large.dat DESTINATION ${CMAKE_CURRENT_BINARY_DIR})
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install(FILES S-KPoints-large.dat DESTINATION ${CMAKE_CURRENT_BINARY_DIR})
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install(FILES S-GammaOnly-large.dat DESTINATION ${CMAKE_CURRENT_BINARY_DIR})
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install(FILES diago_elpa_parallel_test.sh DESTINATION ${CMAKE_CURRENT_BINARY_DIR})
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find_program(BASH bash)
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add_test(NAME hsolver_diago_elpa_parallel
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COMMAND ${BASH} diago_elpa_parallel_test.sh
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WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR}
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)

‎source/src_pdiag/test/H-GammaOnly-large.dat‎

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‎source/src_pdiag/test/H-GammaOnly.dat‎

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‎source/src_pdiag/test/H-KPoints-large.dat‎

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‎source/src_pdiag/test/H-KPoints.dat‎

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‎source/src_pdiag/test/S-GammaOnly-large.dat‎

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‎source/src_pdiag/test/S-GammaOnly.dat‎

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1.1347

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