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set(SourceNames
Compute.C
ComputeList.C
ComputeNonbondedUtil.C
LJTable.C
Molecule.C
Patch.C
PatchList.C
ResultSet.C
SimParameters.C
erf.C
spec_namd.C
)
set(Source "")
foreach(FILENAME ${SourceNames})
list(APPEND Source ${BENCHMARK_DIR}/src/${FILENAME})
endforeach()
macro(test_input run_type iters)
llvm_test_run(RUN_TYPE ${run_type} WORKDIR ${CMAKE_CURRENT_BINARY_DIR}
--input data/all/input/namd.input
--iterations ${iters}
--output namd.out
> namd.stdout
)
llvm_test_verify(RUN_TYPE ${run_type} WORKDIR ${CMAKE_CURRENT_BINARY_DIR}
${FPCMP} -a 0.00001 data/${run_type}/output/namd.out namd.out
)
endmacro()
test_input(test 1)
test_input(train 1)
test_input(ref 38)
llvm_test_executable(444.namd ${Source})
llvm_test_data_spec_default(444.namd)
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