Asadchev/refactor/math #230
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external/scalapack.cmake
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| @@ -5,6 +5,8 @@ | |||
| # Find dependencies related to ScaLAPACK | |||
| ################### | |||
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| add_compile_definitions( ${MPI_CXX_COMPILE_DEFINITIONS} ) | |||
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how does this propagate to dependencies? should this be applied to a particular target?
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Shouldn't we be using MPI::MPI_C (not MPI::MPI_CXX, that has some really dumb behaviour for OpenMPI) for this anyways?
external/scalapack.cmake
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| @@ -5,6 +5,8 @@ | |||
| # Find dependencies related to ScaLAPACK | |||
| ################### | |||
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| add_compile_definitions( ${MPI_CXX_COMPILE_DEFINITIONS} ) | |||
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Shouldn't we be using MPI::MPI_C (not MPI::MPI_CXX, that has some really dumb behaviour for OpenMPI) for this anyways?
| ? madness::cblas::Trans | ||
| : madness::cblas::NoTrans); | ||
| const madness::cblas::CBLAS_TRANSPOSE right_op = | ||
| ? blas::Transpose |
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We should probably be using blas::Op::Trans, blas::Op::NoTrans and blas:Op:::ConjTrans to make the transition to blaspp/lapackpp more transparent (e.g. typedef blas::Op Op;). I can make the necessary changes to blacspp and scalapackpp to be more consistent as well
src/TiledArray/math/linalg/forward.h
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| enum TransposeFlag { NoTranspose, Transpose, ConjTranspose }; | ||
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| enum class SVDReturn { |
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I originally had these as strong types to allow for the possibility of typed template specialization for particular combinations (the performant alg choices for thin return / value only may be slightly different than full return, etc). I'm fine keeping the change, but we may find use cases for the strong types later on if we look at more advanced dispatch
| if (world.rank() == 0) { | ||
| lapack::cholesky(A_eig); | ||
| linalg::rank_local::cholesky(A_eig); | ||
| } | ||
| world.gop.broadcast_serializable(A_eig, 0); |
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Cholesky can be safely replicated with identical inputs (not like XSYEV which has a phase problem), and since make_matrix already seems to be replicating the data, that would save you some communication / synchronization
| World& world = A.world(); | ||
| auto A_eig = detail::to_eigen(A); | ||
| auto A_eig = detail::make_matrix(A); |
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Since make_matrix replicates here, wouldn't it make more sense to add a "scatter/gather" type driver rather than "Alltoall` to save on some communication dependencies?
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- Reorganize rank-local matrix, blas, and linalg - Replace madness::cblas::Transpose by TA::blas::TransposeFlag - Move non-distributed DistArray linalg to TiledArray/algebra/non-distributed
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