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Update README, add in Doxygen generator, update gitignore
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.gitignore

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# Output files
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*.out
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OUT

Documentation/.gitignore

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Doxygen-Errors.txt

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Documentation/README.md

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The pEVSL documentation is done using Doxygen.
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One can compile the documentation offline by running `make docs` for the parent folder
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The LaTeX PDF documentation can be generated by running `make latex` in DOCUMENTATION

Documentation/makefile

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latex:
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cd OUT/latex && make
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clean:
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rm -fr OUT

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README

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README.md

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# pEVSL
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-----------------------------------------------------------------------
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pEVSL (parallel EigenValue SLcing)
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-----------------------------------------------------------------------
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Latest changes made on:
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-----------------------------------------------------------------------
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main data structures for parallel computing
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1. evsl_comm
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This structure contains all process informations in the parallel environment
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and all the MPI communicators. There are 3 MPI_comm's that are 1) the global communicator
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(MPI_WORLD) 2), group communicator (for each slice), and 3) group lead communicator, i.e.,
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communicator for all the rank-0 processes in all the groups
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2. evsl_parcsr
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This structure is for parallel CSR matrices. Each process hold a block of rows, say Ai = A(r_i:r_{i+1}-1,:)
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According to row/column partitioning, Ai is split into a local part (in the diagonal block) and an external part
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(off block diagonal), which are 2 CSR matrix, namely diag and offd.
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Currently, the only operation supported is parcsr_Matvec. A structure called commHandle is in evsl_parcsr, which takes care
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of all communications for matvec. Non-block communications are used in matvec to overlap computaions and communications.
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3. evsl_parvec
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This structure is for parallel vectors.
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FILES:
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INC: [all header files]
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pevsl.h : functino prototypes and constant definitions
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pevsl_blaslapack.h : BLAS/LAPACK macros
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pevsl_def.h : Macro definitions
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pevsl_int.h : internal header with constant definitions and prototypes
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pevsl_struct.h : pEVSL structs
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SRC:
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cheblanNr.c : Polynomial Filtered no-restart Lanczos
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chebpol.c : Computing and applying polynomial filters
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kpmdos.c : Compute DOS by KPM methods
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landos.c : Function to use Lanczos method for approximating DOS for the generalized eigenvalue problem
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lantrbnd.c : A more robust algorithm to give bounds of spectrum based on TR Lanczos
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lspolapprox.c : Least squares polynomial approximation to a matrix function
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miscla.c : Miscellaneous la functions
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parcsr.c : Functinos related to parallel csr structure
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parcsrmv.c : Parallel csr matrix vector products
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parvec.c : Parallel vector related functions
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parvecs.c : Parallel multi-vector related functions
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pevsl.c : PEVSL interface functions
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simpson.c : Simpson integrater
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spmat.c : Space matrix operations
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spslicer.c : Spectrum slicing
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stats.c : Used to track various statistics (time taken by various operations)
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utils.c : Utility functions
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vector.c : Vector related functions
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- - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
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INSTALL:
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every effort is made so that the only thing to modify is the file
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makefile.in
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[0. need BLAS/LAPACK and MPI]
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1. modify makefile.in (may need to change MKLRoot, BLAS/LAPACK/MPI linking)
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2. make clean; make
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make in the directory SRC will create the library libpevsl.a
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In directory TESTS/ you will find a makefile to create 3 directorys
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* Gen_Lap [Generalized Eigenvalue Laplacian]
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* MM [Matrix market form]
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* Lap [Laplacian]
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Run:
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mpirun -np 10 ./test.ex -n 400 ./test.ex -nx 20 -ny 20 -nz 20 -nslices 5 -a 0.6 -b 1.2
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[5 slices, 2 processes for each slice]
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= = = = = = = = = = = = = = = = = = = = = = = = = = = = = = = = = = = = = = = = =
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nx 20 ny 20 nz 20, nslices 5, a = 6.000000e-01 b = 1.200000e+00
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= = = = = = = = = = = = = = = = SLICES FOUND = = = = = = = = = = = = = = = = = = = =
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Slice 0: [6.000000000000000e-01, 7.431715857928962e-01]
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Slice 1: [7.431715857928962e-01, 8.719359679839922e-01]
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Slice 2: [8.719359679839922e-01, 9.904952476238122e-01]
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Slice 3: [9.904952476238122e-01, 1.098549274637319e+00]
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Slice 4: [1.098549274637319e+00, 1.200000000000000e+00]
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= = = = = = = = = = = = = = = = = = = = = = = = = = = = = = = = = = = = = = = = =
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Eigenvalue bounds: (0.000000e+00, 1.200000e+01)
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Eigenvalue count 126.44, estimated count for each slice 31
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= = = = = = = = = = = = = = = = = = = = = = = = = = = = = = = = = = = = = = = = =
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Group 0 (NP=2): [6.00e-01, 7.43e-01], eval computed 18 (18), polydeg 61, its 210
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Group 1 (NP=2): [7.43e-01, 8.72e-01], eval computed 27 (27), polydeg 74, its 270
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Group 2 (NP=2): [8.72e-01, 9.90e-01], eval computed 27 (27), polydeg 86, its 270
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Group 3 (NP=2): [9.90e-01, 1.10e+00], eval computed 19 (19), polydeg 99, its 210
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Group 4 (NP=2): [1.10e+00, 1.20e+00], eval computed 27 (27), polydeg 110, its 270
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= = = = = = = = = = = = = = = = = = = SLICE 0 = = = = = = = = = = = = = = = = = = = =
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Timing (sec):
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Create Comms 0.000628, Create Parcsr 0.002328, Create Slicer 0.000001
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Apply Slicer 0.245428, FiltEig Solve 1.105189
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Memory (MB):
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Total 20.94, Peak 18.60
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= = = = = = = = = = = = = = = = = = = SLICE 1 = = = = = = = = = = = = = = = = = = = =
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Timing (sec):
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Create Comms 0.000217, Create Parcsr 0.002418, Create Slicer 0.000001
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Apply Slicer 0.245796, FiltEig Solve 1.689088
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Memory (MB):
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Total 21.52, Peak 19.18
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= = = = = = = = = = = = = = = = = = = SLICE 2 = = = = = = = = = = = = = = = = = = = =
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Timing (sec):
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Create Comms 0.000205, Create Parcsr 0.002302, Create Slicer 0.000002
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Apply Slicer 0.245934, FiltEig Solve 1.950552
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Memory (MB):
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Total 21.52, Peak 19.18
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= = = = = = = = = = = = = = = = = = = SLICE 3 = = = = = = = = = = = = = = = = = = = =
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Timing (sec):
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Create Comms 0.000242, Create Parcsr 0.002334, Create Slicer 0.000002
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Apply Slicer 0.245882, FiltEig Solve 1.717661
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Memory (MB):
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Total 21.01, Peak 18.67
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= = = = = = = = = = = = = = = = = = = SLICE 4 = = = = = = = = = = = = = = = = = = = =
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Timing (sec):
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Create Comms 0.000216, Create Parcsr 0.002417, Create Slicer 0.000002
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Apply Slicer 0.245852, FiltEig Solve 2.392627
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Memory (MB):
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Total 21.52, Peak 19.18
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= = = = = = = = = = = = = = = = = = = = = = = = = = = = = = = = = = = = = = = = = = =
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