From a019659da4d6f63df41af48c05b6c46200d37a60 Mon Sep 17 00:00:00 2001 From: Freifrau von Bleifrei Date: Tue, 14 May 2024 13:24:15 +0900 Subject: [PATCH 01/11] Update README.md --- README.md | 15 +++++++++++++-- 1 file changed, 13 insertions(+), 2 deletions(-) diff --git a/README.md b/README.md index b896955d..f9765e5c 100644 --- a/README.md +++ b/README.md @@ -15,6 +15,17 @@ DisCoTec is designed as a framework that can run multiple instances of a (black- The most basic example we use is a [mass-conserving FDM/FVM constant advection upwinding solver](/examples/distributed_advection/). An example of a separate, coupled solver is [SeLaLib](/examples/selalib_distributed/). +## Sparse Grid Combination Technique with Time Stepping +--------------------------- +The sparse grid combination technique can be used to alleviate the curse of dimensionality encountered in high-dimensional simulations. +Instead of using your solver on a single structured full grid (where every dimension is finely resolved), you would use it on many different structured full grids (each of them differently resolved). +These grids form a sparse grid approximation, which can be obtained by a linear superposition of the individual grid functions, with the so-called combination coefficients. + +![schematic of a combination scheme in 2D](img/combischeme.pdf) +In this 2D combination scheme, all combination coefficients are 1 and -1, respectively. + +Between time steps, the grids exchange data through a multi-scale approach, which -- assuming a certain smoothness in the solution -- allows for a good approximation of the finely-resolved function, while achieving drastic reductions in compute and memory requirements. + ## Contributing --------------------------- @@ -26,7 +37,6 @@ An example of a separate, coupled solver is [SeLaLib](/examples/selalib_distribu ## Installation instructions: spack --------------------------- - DisCoTec can be installed via Spack, which handles all dependencies. If you want to develop DisCoTec code or examples, the `spack dev-build` workflow is recommended. @@ -42,7 +52,8 @@ git clone git@github.com:SGpp/DisCoTec.git cd DisCoTec ../spack/bin/spack dev-build -b install discotec@main ``` -This will build DisCoTec inside the cloned folder, and the executables are placed in the respective `example` and `test` folders. +This will first build all dependencies, and then build DisCoTec inside the cloned folder. +The executables are placed in the respective `example` and `test` folders. ## Installation instructions: CMake From 82ae563ab517d7afba86d2251aecab10c7cd4887 Mon Sep 17 00:00:00 2001 From: Freifrau von Bleifrei Date: Tue, 14 May 2024 13:24:59 +0900 Subject: [PATCH 02/11] readme: add combination technique section --- README.md | 15 +++++++++++++-- 1 file changed, 13 insertions(+), 2 deletions(-) diff --git a/README.md b/README.md index b896955d..f9765e5c 100644 --- a/README.md +++ b/README.md @@ -15,6 +15,17 @@ DisCoTec is designed as a framework that can run multiple instances of a (black- The most basic example we use is a [mass-conserving FDM/FVM constant advection upwinding solver](/examples/distributed_advection/). An example of a separate, coupled solver is [SeLaLib](/examples/selalib_distributed/). +## Sparse Grid Combination Technique with Time Stepping +--------------------------- +The sparse grid combination technique can be used to alleviate the curse of dimensionality encountered in high-dimensional simulations. +Instead of using your solver on a single structured full grid (where every dimension is finely resolved), you would use it on many different structured full grids (each of them differently resolved). +These grids form a sparse grid approximation, which can be obtained by a linear superposition of the individual grid functions, with the so-called combination coefficients. + +![schematic of a combination scheme in 2D](img/combischeme.pdf) +In this 2D combination scheme, all combination coefficients are 1 and -1, respectively. + +Between time steps, the grids exchange data through a multi-scale approach, which -- assuming a certain smoothness in the solution -- allows for a good approximation of the finely-resolved function, while achieving drastic reductions in compute and memory requirements. + ## Contributing --------------------------- @@ -26,7 +37,6 @@ An example of a separate, coupled solver is [SeLaLib](/examples/selalib_distribu ## Installation instructions: spack --------------------------- - DisCoTec can be installed via Spack, which handles all dependencies. If you want to develop DisCoTec code or examples, the `spack dev-build` workflow is recommended. @@ -42,7 +52,8 @@ git clone git@github.com:SGpp/DisCoTec.git cd DisCoTec ../spack/bin/spack dev-build -b install discotec@main ``` -This will build DisCoTec inside the cloned folder, and the executables are placed in the respective `example` and `test` folders. +This will first build all dependencies, and then build DisCoTec inside the cloned folder. +The executables are placed in the respective `example` and `test` folders. ## Installation instructions: CMake From 680016cdacd916cc06e1403cbac9cb621368852f Mon Sep 17 00:00:00 2001 From: Freifrau von Bleifrei Date: Tue, 14 May 2024 14:49:54 +0900 Subject: [PATCH 03/11] README: some formatting and references --- README.md | 40 ++++++++++++++++++++++++++-------------- 1 file changed, 26 insertions(+), 14 deletions(-) diff --git a/README.md b/README.md index f9765e5c..02702b5d 100644 --- a/README.md +++ b/README.md @@ -6,7 +6,6 @@ [![Codacy Badge](https://app.codacy.com/project/badge/Grade/cac5bc0841784657b2bb75ea46e7cf01)](https://app.codacy.com/gh/SGpp/DisCoTec/dashboard) # What is DisCoTec? ---------------------------- This project contains __DisCoTec__, a code for running the *dis*tributed sparse grid *co*mbination *tec*hnique with MPI parallelization. While it originates from the excellent [SGpp project](https://github.com/SGpp/SGpp), all the parallelization makes it a very different code, such that it has become its own project. @@ -15,28 +14,40 @@ DisCoTec is designed as a framework that can run multiple instances of a (black- The most basic example we use is a [mass-conserving FDM/FVM constant advection upwinding solver](/examples/distributed_advection/). An example of a separate, coupled solver is [SeLaLib](/examples/selalib_distributed/). + ## Sparse Grid Combination Technique with Time Stepping ---------------------------- -The sparse grid combination technique can be used to alleviate the curse of dimensionality encountered in high-dimensional simulations. -Instead of using your solver on a single structured full grid (where every dimension is finely resolved), you would use it on many different structured full grids (each of them differently resolved). -These grids form a sparse grid approximation, which can be obtained by a linear superposition of the individual grid functions, with the so-called combination coefficients. -![schematic of a combination scheme in 2D](img/combischeme.pdf) -In this 2D combination scheme, all combination coefficients are 1 and -1, respectively. +The sparse grid combination technique (Griebel et al. [1992](https://ins.uni-bonn.de/media/public/publication-media/griesiam.ps.gz), Garcke [2013](https://link.springer.com/chapter/10.1007/978-3-642-31703-3_3), Harding [2016](https://link.springer.com/chapter/10.1007/978-3-319-28262-6_4)) can be used to alleviate the curse of dimensionality encountered in high-dimensional simulations. +Instead of using your solver on a single structured full grid (where every dimension is finely resolved), you would use it on many different structured full grids (each of them differently resolved). +We call these coarsely-resolved grids component grids. +Taken together, all component grids form a sparse grid approximation, which can be explicitly obtained by a linear superposition of the individual grid functions, with the so-called combination coefficients. -Between time steps, the grids exchange data through a multi-scale approach, which -- assuming a certain smoothness in the solution -- allows for a good approximation of the finely-resolved function, while achieving drastic reductions in compute and memory requirements. +![schematic of a combination scheme in 2D](gfx/combischeme-2d.pdf) +In this two-dimensional combination scheme, all combination coefficients are 1 and -1, respectively. +Figure originally published in (Pollinger [2024](https://elib.uni-stuttgart.de/handle/11682/14229)). +Between time steps, the grids exchange data through a multi-scale approach, which is summarized as the "combination" step in DisCoTec. +Assuming a certain smoothness in the solution, this allows for a good approximation of the finely-resolved function, while achieving drastic reductions in compute and memory requirements. -## Contributing ---------------------------- -* We welcome contributions! To find a good place to start coding, have a look at the currently open issues. -* Please describe issues in the [issue tracker](https://github.com/SGpp/DisCoTec/issues). + +## Parallelism in DisCoTec + +The DisCoTec framework can work with existing MPI parallelized solver codes operating on structured grids. +In addition to the parallelism provided by the solver, it adds the combination technique's parallelism: + +![schematic of MPI ranks in DisCoTec](gfx/discotec-ranks.pdf) + + +# Contributing + +We welcome contributions! To find a good place to start coding, have a look at the currently open issues. +* Please describe issues and intended changes in the [issue tracker](https://github.com/SGpp/DisCoTec/issues). * Please develop new features in a new branch (typically on your own fork) and then create a [pull request](https://github.com/SGpp/DisCoTec/pulls). * New features will only be merged to the main branch if they are sufficiently tested: please add unit tests in [/tests](/tests). ## Installation instructions: spack ---------------------------- + DisCoTec can be installed via Spack, which handles all dependencies. If you want to develop DisCoTec code or examples, the `spack dev-build` workflow is recommended. @@ -57,6 +68,7 @@ The executables are placed in the respective `example` and `test` folders. ## Installation instructions: CMake + --------------------------- #### Dependencies --------------------------- @@ -156,7 +168,7 @@ mpirun -n $(($NGROUP*$NPROCS)) omplace -v -nt ${OMP_NUM_THREADS} $DISCOTEC_EXECU Validate with very verbose output: `-vv` . ### GENE submodules as dependencies for GENE examples ---------------------------- + *Warning: The CMake Integration is currently not adapted to use GENE!* There are gene versions as submodules: a linear one in the gene_mgr folder, and From c17ce06a28877990556b521e4b2a5e379cd5aae5 Mon Sep 17 00:00:00 2001 From: Theresa Pollinger Date: Wed, 15 May 2024 03:46:56 +0200 Subject: [PATCH 04/11] gfx: add two new pdf files (to go into readme) --- gfx/combischeme-2d.pdf | Bin 0 -> 112639 bytes gfx/discotec-ranks.pdf | Bin 0 -> 77680 bytes 2 files changed, 0 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z$w>76oc)_4k)B;Bwa$bFUzZ+pw9dq*wo>|Mcgc6vNE6%eZdOIv62&lC1(}r8t>hR7 zDerko;x+Yf4}aU;fpfbGV5-Jr->7=}X~^RmDw&gGs*b=V9A?0$gMaT7XBR^!7Z0cR TZs6j2Pa20vK_Q_aiTM8jGR}Om literal 0 HcmV?d00001 From 37d7b02cec5a9dd3ae1b10764b93d4601ba04dd2 Mon Sep 17 00:00:00 2001 From: Freifrau von Bleifrei Date: Wed, 15 May 2024 11:26:38 +0900 Subject: [PATCH 05/11] readme: try fixing header hierarchy --- README.md | 133 ++++++++++++++++++++++++++++-------------------------- 1 file changed, 70 insertions(+), 63 deletions(-) diff --git a/README.md b/README.md index 1e51fbe3..302dc5d4 100644 --- a/README.md +++ b/README.md @@ -1,3 +1,4 @@ +# DisCoTec: Distributed Combination Technique Framework [![Build Status](https://jenkins-sim.informatik.uni-stuttgart.de/buildStatus/icon?job=DisCoTec%2Fmain)](https://jenkins-sim.informatik.uni-stuttgart.de/job/DisCoTec/job/main/) [![License: LGPL v3](https://img.shields.io/badge/License-LGPL_v3-blue.svg)](https://www.gnu.org/licenses/lgpl-3.0) @@ -5,31 +6,19 @@ [![Latest spack version](https://img.shields.io/spack/v/discotec)](https://spack.readthedocs.io/en/latest/package_list.html#discotec) [![Codacy Badge](https://app.codacy.com/project/badge/Grade/cac5bc0841784657b2bb75ea46e7cf01)](https://app.codacy.com/gh/SGpp/DisCoTec/dashboard) -# What is DisCoTec? +## What is DisCoTec? -This project contains __DisCoTec__, a code for running the *dis*tributed sparse grid *co*mbination *tec*hnique with MPI parallelization. +This project contains **DisCoTec**, a code for running the *dis*tributed sparse grid *co*mbination *tec*hnique with MPI parallelization. While it originates from the excellent [SGpp project](https://github.com/SGpp/SGpp), all the parallelization makes it a very different code, such that it has become its own project. DisCoTec is designed as a framework that can run multiple instances of a (black-box) grid-based solver implementation. The most basic example we use is a [mass-conserving FDM/FVM constant advection upwinding solver](/examples/distributed_advection/). An example of a separate, coupled solver is [SeLaLib](/examples/selalib_distributed/). -## Sparse Grid Combination Technique with Time Stepping ---------------------------- -The sparse grid combination technique can be used to alleviate the curse of dimensionality encountered in high-dimensional simulations. -Instead of using your solver on a single structured full grid (where every dimension is finely resolved), you would use it on many different structured full grids (each of them differently resolved). -These grids form a sparse grid approximation, which can be obtained by a linear superposition of the individual grid functions, with the so-called combination coefficients. - -![schematic of a combination scheme in 2D](img/combischeme.pdf) -In this 2D combination scheme, all combination coefficients are 1 and -1, respectively. - -Between time steps, the grids exchange data through a multi-scale approach, which -- assuming a certain smoothness in the solution -- allows for a good approximation of the finely-resolved function, while achieving drastic reductions in compute and memory requirements. - - -## Sparse Grid Combination Technique with Time Stepping +### Sparse Grid Combination Technique with Time Stepping The sparse grid combination technique (Griebel et al. [1992](https://ins.uni-bonn.de/media/public/publication-media/griesiam.ps.gz), Garcke [2013](https://link.springer.com/chapter/10.1007/978-3-642-31703-3_3), Harding [2016](https://link.springer.com/chapter/10.1007/978-3-319-28262-6_4)) can be used to alleviate the curse of dimensionality encountered in high-dimensional simulations. -Instead of using your solver on a single structured full grid (where every dimension is finely resolved), you would use it on many different structured full grids (each of them differently resolved). +Instead of using your solver on a single structured full grid (where every dimension is finely resolved), you would use it on many different structured full grids (each of them differently resolved). We call these coarsely-resolved grids component grids. Taken together, all component grids form a sparse grid approximation, which can be explicitly obtained by a linear superposition of the individual grid functions, with the so-called combination coefficients. @@ -40,108 +29,115 @@ Figure originally published in (Pollinger [2024](https://elib.uni-stuttgart.de/h Between time steps, the grids exchange data through a multi-scale approach, which is summarized as the "combination" step in DisCoTec. Assuming a certain smoothness in the solution, this allows for a good approximation of the finely-resolved function, while achieving drastic reductions in compute and memory requirements. - -## Parallelism in DisCoTec +### Parallelism in DisCoTec The DisCoTec framework can work with existing MPI parallelized solver codes operating on structured grids. In addition to the parallelism provided by the solver, it adds the combination technique's parallelism: ![schematic of MPI ranks in DisCoTec](gfx/discotec-ranks.pdf) - -# Contributing +## Contributing We welcome contributions! To find a good place to start coding, have a look at the currently open issues. -* Please describe issues and intended changes in the [issue tracker](https://github.com/SGpp/DisCoTec/issues). -* Please develop new features in a new branch (typically on your own fork) and then create a [pull request](https://github.com/SGpp/DisCoTec/pulls). -* New features will only be merged to the main branch if they are sufficiently tested: please add unit tests in [/tests](/tests). +- Please describe issues and intended changes in the [issue tracker](https://github.com/SGpp/DisCoTec/issues). +- Please develop new features in a new branch (typically on your own fork) and then create a [pull request](https://github.com/SGpp/DisCoTec/pulls). +- New features will only be merged to the main branch if they are sufficiently tested: please add unit tests in [/tests](/tests). + +## Installing -## Installation instructions: spack +### Installation instructions: spack DisCoTec can be installed via Spack, which handles all dependencies. If you want to develop DisCoTec code or examples, the `spack dev-build` workflow is recommended. Clone both `spack` and `DisCoTec` to find or build the dependencies and then compile DisCoTec: + ```bash git clone git@github.com:spack/spack.git # use https if your ssh is not set up on github ./spack/bin/spack external find # find already-installed packages ./spack/bin/spack compiler find # find compilers present on system -./spack/bin/spack info discotec@main # shows DisCoTec's variants +./spack/bin/spack info discotec@main # shows DisCoTec's variants ./spack/bin/spack spec discotec@main # shows DisCoTec's dependency tree and which parts are already found git clone git@github.com:SGpp/DisCoTec.git cd DisCoTec ../spack/bin/spack dev-build -b install discotec@main ``` + This will first build all dependencies, and then build DisCoTec inside the cloned folder. The executables are placed in the respective `example` and `test` folders. +### Installation instructions: CMake -## Installation instructions: CMake - ---------------------------- #### Dependencies ---------------------------- + cmake >= (3.24.2), libmpich-dev (>= 3.2-6), or other MPI library libboost-all-dev (>= 1.60) Additional (optional) dependencies: -- OpenMP -- HDF5 -- HighFive -#### Complete build: +- OpenMP +- HDF5 +- HighFive + +#### Complete build + ```bash git clone https://github.com/SGpp/DisCoTec.git DisCoTec cmake -S DisCoTec -B DisCoTec/build cmake --build DisCoTec/build -j ``` -#### Advanced build: +#### Advanced build -All examples and the tools can be built on their own. -To build a specific example, run the specific cmake command in the example folder. +All examples and the tools can be built on their own. +To build a specific example, run the specific cmake command in the example folder. For example, run the following commands + ```bash git clone https://github.com/SGpp/DisCoTec.git DisCoTec cd DisCoTec/examples/combi_example cmake -S . -B build cmake --build build -j ``` -to build the combi_example. +to build the combi_example. For building only the DisCoTec library, run cmake with the `src` folder as source folder. #### Optional CMake Options -- `DISCOTEC_TEST=**ON**|OFF` - Build tests if you build the complete project. -- `DISCOTEC_BUILD_MISSING_DEPS=**ON**|OFF`- First order dependencies that are not found are built automatically (glpk is always built). -- `DISCOTEC_TIMING=**ON**|OFF` - Enables internal timing -- `DISCOTEC_USE_HDF5=**ON**|OFF` -- `DISCOTEC_USE_HIGHFIVE=**ON**|OFF` - Enables HDF5 support via HighFive. If `DISCOTEC_USE_HIGHFIVE=ON`, `DISCOTEC_USE_HDF5` has also to be `ON`. -- `DISCOTEC_UNIFORMDECOMPOSITION=**ON **|OFF` - Enables the uniform decomposition of the grid. -- `DISCOTEC_GENE=ON|**OFF**` - Currently GEne is not supported with CMake! -- `DISCOTEC_OPENMP=ON|**OFF**` - Enables OpenMP support. -- `DISCOTEC_ENABLEFT=ON|**OFF**` - Enables the use of the FT library. -- `DISCOTEC_USE_LTO=**ON**|OFF` - Enables link time optimization if the compiler supports it. -- `DISCOTEC_OMITREADYSIGNAL=ON|**OFF**` - Omit the ready signal in the MPI communication. This can be used to reduce the communication overhead. -- `DISCOTEC_USENONBLOCKINGMPICOLLECTIVE=ON|**OFF**` - TODO: Add description -- `DISCOTEC_WITH_SELALIB=ON|**OFF**` - Looks for SeLaLib dependencies and compiles [the matching example](/examples/selalib_distributed/) +- `DISCOTEC_TEST=**ON**|OFF` - Build tests if you build the complete project. +- `DISCOTEC_BUILD_MISSING_DEPS=**ON**|OFF`- First order dependencies that are not found are built automatically (glpk is always built). +- `DISCOTEC_TIMING=**ON**|OFF` - Enables internal timing +- `DISCOTEC_USE_HDF5=**ON**|OFF` +- `DISCOTEC_USE_HIGHFIVE=**ON**|OFF` - Enables HDF5 support via HighFive. If `DISCOTEC_USE_HIGHFIVE=ON`, `DISCOTEC_USE_HDF5` has also to be `ON`. +- `DISCOTEC_UNIFORMDECOMPOSITION=**ON **|OFF` - Enables the uniform decomposition of the grid. +- `DISCOTEC_GENE=ON|**OFF**` - Currently GEne is not supported with CMake! +- `DISCOTEC_OPENMP=ON|**OFF**` - Enables OpenMP support. +- `DISCOTEC_ENABLEFT=ON|**OFF**` - Enables the use of the FT library. +- `DISCOTEC_USE_LTO=**ON**|OFF` - Enables link time optimization if the compiler supports it. +- `DISCOTEC_OMITREADYSIGNAL=ON|**OFF**` - Omit the ready signal in the MPI communication. This can be used to reduce the communication overhead. +- `DISCOTEC_USENONBLOCKINGMPICOLLECTIVE=ON|**OFF**` - TODO: Add description +- `DISCOTEC_WITH_SELALIB=ON|**OFF**` - Looks for SeLaLib dependencies and compiles [the matching example](/examples/selalib_distributed/) To run the compiled tests, go to folder `tests` and run + ```bash mpiexec -np 9 ./test_distributedcombigrid_boost ``` + where you can use all the parameters of the boost test suite. If timings matter, consider the pinning described in the respective section. Or you can run the tests with `ctest` in the build folder. ## Executing DisCoTec Binaries / Rank and Thread Pinning + The number and size of process groups (in MPI ranks) can be read from the `ctparam` files: -``` + +```bash NGROUP=$(grep ngroup ctparam | awk -F"=" '{print $2}') NPROCS=$(grep nprocs ctparam | awk -F"=" '{print $2}') ``` @@ -150,50 +146,61 @@ Correct pinning is of utmost importance, especially if DisCoTec was compiled wit The desired pinning is the simplest one you can imagine: Each node and, within a node, each socket is filled consecutively with MPI rank numbers. If OpenMP is used, MPI pinning is strided by the number of threads. The threads should be placed close to their MPI rank. This means for all compilers, if the desired number of OpenMP threads per rank is `N`, one needs -``` + +```bash export OMP_NUM_THREADS=$N;export OMP_PLACES=cores;export OMP_PROC_BIND=close ``` + If OpenMP is used for compilation but should not be used for execution, `N` should be set to 1 to avoid unintended effects. -#### Intel-MPI +### Intel-MPI + Intel-MPI requires some [environment variables](https://software.intel.com/content/www/us/en/develop/documentation/mpi-developer-reference-linux/top/environment-variable-reference/process-pinning/environment-variables-for-process-pinning.html), in particular [for OpenMP](https://www.intel.com/content/www/us/en/docs/mpi-library/developer-guide-linux/2021-6/running-an-mpi-openmp-program.html): -``` + +```bash mpiexec -n $(($NGROUP*$NPROCS)) -genv I_MPI_PIN_PROCESSOR_LIST="allcores" -genv I_MPI_PIN_DOMAIN=omp $DISCOTEC_EXECUTABLE ``` -In SLURM, it is important to set --ntasks-per-node to match the number of desired tasks ($CORES_PER_NODE/$OMP_NUM_THREADS). + +In SLURM, it is important to set --ntasks-per-node to match the number of desired tasks ($CORES_PER_NODE/$OMP_NUM_THREADS). Validate with verbose output: `export I_MPI_DEBUG=4` . -#### OpenMPI +### OpenMPI + OpenMPI uses command line arguments, pinning may clash with SLURM settings depending on the exact call. ``` mpiexec.openmpi --rank-by core --map-by node:PE=${OMP_NUM_THREADS} -n $(($NGROUP*$NPROCS)) $DISCOTEC_EXECUTABLE ``` + Validate with verbose output: `--report-bindings` . -#### MPT +### MPT + With mpt, one uses the `omplace` wrapper tool to set the correct pinning. + ``` mpirun -n $(($NGROUP*$NPROCS)) omplace -v -nt ${OMP_NUM_THREADS} $DISCOTEC_EXECUTABLE ``` + Validate with very verbose output: `-vv` . -### GENE submodules as dependencies for GENE examples +## GENE submodules as dependencies for GENE examples -*Warning: The CMake Integration is currently not adapted to use GENE!* +_Warning: The CMake Integration is currently not adapted to use GENE!_ -There are gene versions as submodules: a linear one in the gene_mgr folder, and -a nonlinear one in gene-non-linear. To get them, you need access to their +There are gene versions as submodules: a linear one in the gene_mgr folder, and +a nonlinear one in gene-non-linear. To get them, you need access to their respective repos at MPCDF. Then go into the folder and -``` bash +```bash git submodule init git submodule update ``` + or use the `--recursive` flag when cloning the repo. +## Further Readmes -### Further Readmes - [widely-distribued simulations](/third_level_manager/README.md) - [the subspace writer tool](/tools/subspace_writer/README.md) - [selalib simulations with DisCoTec](/examples/selalib_distributed/README.md) From 60ed029da0e87996026ee24571c2d66653066ca4 Mon Sep 17 00:00:00 2001 From: Freifrau von Bleifrei Date: Wed, 15 May 2024 11:38:21 +0900 Subject: [PATCH 06/11] readme: test line breaks --- README.md | 115 +++++++++++++++++++++++++++++++++++++----------------- 1 file changed, 79 insertions(+), 36 deletions(-) diff --git a/README.md b/README.md index 302dc5d4..b3528fae 100644 --- a/README.md +++ b/README.md @@ -8,50 +8,75 @@ ## What is DisCoTec? -This project contains **DisCoTec**, a code for running the *dis*tributed sparse grid *co*mbination *tec*hnique with MPI parallelization. -While it originates from the excellent [SGpp project](https://github.com/SGpp/SGpp), all the parallelization makes it a very different code, such that it has become its own project. - -DisCoTec is designed as a framework that can run multiple instances of a (black-box) grid-based solver implementation. -The most basic example we use is a [mass-conserving FDM/FVM constant advection upwinding solver](/examples/distributed_advection/). +This project contains **DisCoTec**, a code for running the *dis*tributed sparse +grid *co*mbination *tec*hnique with MPI parallelization. +While it originates from the excellent +[SGpp project](https://github.com/SGpp/SGpp), all the parallelization makes it a +very different code, such that it has become its own project. + +DisCoTec is designed as a framework that can run multiple instances of a +(black-box) grid-based solver implementation. +The most basic example we use is a [mass-conserving FDM/FVM constant advection +upwinding solver](/examples/distributed_advection/). An example of a separate, coupled solver is [SeLaLib](/examples/selalib_distributed/). ### Sparse Grid Combination Technique with Time Stepping -The sparse grid combination technique (Griebel et al. [1992](https://ins.uni-bonn.de/media/public/publication-media/griesiam.ps.gz), Garcke [2013](https://link.springer.com/chapter/10.1007/978-3-642-31703-3_3), Harding [2016](https://link.springer.com/chapter/10.1007/978-3-319-28262-6_4)) can be used to alleviate the curse of dimensionality encountered in high-dimensional simulations. -Instead of using your solver on a single structured full grid (where every dimension is finely resolved), you would use it on many different structured full grids (each of them differently resolved). +The sparse grid combination technique (Griebel et al. +[1992](https://ins.uni-bonn.de/media/public/publication-media/griesiam.ps.gz), +Garcke [2013](https://link.springer.com/chapter/10.1007/978-3-642-31703-3_3), +Harding [2016](https://link.springer.com/chapter/10.1007/978-3-319-28262-6_4)) +can be used to alleviate the curse of dimensionality encountered in +high-dimensional simulations. +Instead of using your solver on a single structured full grid (where every +dimension is finely resolved), you would use it on many different structured +full grids (each of them differently resolved). We call these coarsely-resolved grids component grids. -Taken together, all component grids form a sparse grid approximation, which can be explicitly obtained by a linear superposition of the individual grid functions, with the so-called combination coefficients. +Taken together, all component grids form a sparse grid approximation, which can +be explicitly obtained by a linear superposition of the individual grid +functions, with the so-called combination coefficients. ![schematic of a combination scheme in 2D](gfx/combischeme-2d.pdf) -In this two-dimensional combination scheme, all combination coefficients are 1 and -1, respectively. +In this two-dimensional combination scheme, all combination coefficients are 1 +and -1, respectively. Figure originally published in (Pollinger [2024](https://elib.uni-stuttgart.de/handle/11682/14229)). -Between time steps, the grids exchange data through a multi-scale approach, which is summarized as the "combination" step in DisCoTec. -Assuming a certain smoothness in the solution, this allows for a good approximation of the finely-resolved function, while achieving drastic reductions in compute and memory requirements. +Between time steps, the grids exchange data through a multi-scale approach, +which is summarized as the "combination" step in DisCoTec. +Assuming a certain smoothness in the solution, this allows for a good +approximation of the finely-resolved function, while achieving drastic +reductions in compute and memory requirements. ### Parallelism in DisCoTec -The DisCoTec framework can work with existing MPI parallelized solver codes operating on structured grids. -In addition to the parallelism provided by the solver, it adds the combination technique's parallelism: +The DisCoTec framework can work with existing MPI parallelized solver codes +operating on structured grids. +In addition to the parallelism provided by the solver, it adds the combination +technique's parallelism: ![schematic of MPI ranks in DisCoTec](gfx/discotec-ranks.pdf) ## Contributing -We welcome contributions! To find a good place to start coding, have a look at the currently open issues. +We welcome contributions! To find a good place to start coding, have a look at +the currently open issues. - Please describe issues and intended changes in the [issue tracker](https://github.com/SGpp/DisCoTec/issues). -- Please develop new features in a new branch (typically on your own fork) and then create a [pull request](https://github.com/SGpp/DisCoTec/pulls). -- New features will only be merged to the main branch if they are sufficiently tested: please add unit tests in [/tests](/tests). +- Please develop new features in a new branch (typically on your own fork) and + then create a [pull request](https://github.com/SGpp/DisCoTec/pulls). +- New features will only be merged to the main branch if they are sufficiently + tested: please add unit tests in [/tests](/tests). ## Installing ### Installation instructions: spack DisCoTec can be installed via Spack, which handles all dependencies. -If you want to develop DisCoTec code or examples, the `spack dev-build` workflow is recommended. +If you want to develop DisCoTec code or examples, the `spack dev-build` workflow +is recommended as follows. -Clone both `spack` and `DisCoTec` to find or build the dependencies and then compile DisCoTec: +Clone both `spack` and `DisCoTec` to find or build the dependencies and then +compile DisCoTec: ```bash git clone git@github.com:spack/spack.git # use https if your ssh is not set up on github @@ -65,7 +90,8 @@ cd DisCoTec ../spack/bin/spack dev-build -b install discotec@main ``` -This will first build all dependencies, and then build DisCoTec inside the cloned folder. +This will first build all dependencies, and then build DisCoTec inside the +cloned folder. The executables are placed in the respective `example` and `test` folders. ### Installation instructions: CMake @@ -105,23 +131,30 @@ cmake --build build -j to build the combi_example. -For building only the DisCoTec library, run cmake with the `src` folder as source folder. +For building only the DisCoTec library, run cmake with the `src` folder as +source folder. #### Optional CMake Options - `DISCOTEC_TEST=**ON**|OFF` - Build tests if you build the complete project. -- `DISCOTEC_BUILD_MISSING_DEPS=**ON**|OFF`- First order dependencies that are not found are built automatically (glpk is always built). +- `DISCOTEC_BUILD_MISSING_DEPS=**ON**|OFF`- First order dependencies that are + not found are built automatically (glpk is always built). - `DISCOTEC_TIMING=**ON**|OFF` - Enables internal timing - `DISCOTEC_USE_HDF5=**ON**|OFF` -- `DISCOTEC_USE_HIGHFIVE=**ON**|OFF` - Enables HDF5 support via HighFive. If `DISCOTEC_USE_HIGHFIVE=ON`, `DISCOTEC_USE_HDF5` has also to be `ON`. -- `DISCOTEC_UNIFORMDECOMPOSITION=**ON **|OFF` - Enables the uniform decomposition of the grid. +- `DISCOTEC_USE_HIGHFIVE=**ON**|OFF` - Enables HDF5 support via HighFive. If + `DISCOTEC_USE_HIGHFIVE=ON`, `DISCOTEC_USE_HDF5` has also to be `ON`. +- `DISCOTEC_UNIFORMDECOMPOSITION=**ON **|OFF` - Enables the uniform + decomposition of the grid. - `DISCOTEC_GENE=ON|**OFF**` - Currently GEne is not supported with CMake! - `DISCOTEC_OPENMP=ON|**OFF**` - Enables OpenMP support. - `DISCOTEC_ENABLEFT=ON|**OFF**` - Enables the use of the FT library. -- `DISCOTEC_USE_LTO=**ON**|OFF` - Enables link time optimization if the compiler supports it. -- `DISCOTEC_OMITREADYSIGNAL=ON|**OFF**` - Omit the ready signal in the MPI communication. This can be used to reduce the communication overhead. -- `DISCOTEC_USENONBLOCKINGMPICOLLECTIVE=ON|**OFF**` - TODO: Add description -- `DISCOTEC_WITH_SELALIB=ON|**OFF**` - Looks for SeLaLib dependencies and compiles [the matching example](/examples/selalib_distributed/) +- `DISCOTEC_USE_LTO=**ON**|OFF` - Enables link time optimization if the compiler + supports it. +- `DISCOTEC_OMITREADYSIGNAL=ON|**OFF**` - Omit the ready signal in the MPI + communication. This can be used to reduce the communication overhead. +- `DISCOTEC_USENONBLOCKINGMPICOLLECTIVE=ON|**OFF**` - Flag currently unused +- `DISCOTEC_WITH_SELALIB=ON|**OFF**` - Looks for SeLaLib dependencies and + compiles [the matching example](/examples/selalib_distributed/) To run the compiled tests, go to folder `tests` and run @@ -133,25 +166,35 @@ where you can use all the parameters of the boost test suite. If timings matter, consider the pinning described in the respective section. Or you can run the tests with `ctest` in the build folder. -## Executing DisCoTec Binaries / Rank and Thread Pinning +## Executing DisCoTec Binaries + +TODO what's in ctparam -The number and size of process groups (in MPI ranks) can be read from the `ctparam` files: +## Rank and Thread Pinning + +The number and size of process groups (in MPI ranks) can be read from the +`ctparam` files: ```bash NGROUP=$(grep ngroup ctparam | awk -F"=" '{print $2}') NPROCS=$(grep nprocs ctparam | awk -F"=" '{print $2}') ``` -Correct pinning is of utmost importance, especially if DisCoTec was compiled with OpenMP support. -The desired pinning is the simplest one you can imagine: Each node and, within a node, each socket is filled consecutively with MPI rank numbers. -If OpenMP is used, MPI pinning is strided by the number of threads. The threads should be placed close to their MPI rank. -This means for all compilers, if the desired number of OpenMP threads per rank is `N`, one needs +Correct pinning is of utmost importance to performance, especially if DisCoTec +was compiled with OpenMP support. +The desired pinning is the simplest one you can imagine: Each node and, within a +node, each socket is filled consecutively with MPI rank numbers. +If OpenMP is used, MPI pinning is strided by the number of threads. The threads +should be placed close to their MPI rank. +This means for all compilers, if the desired number of OpenMP threads per rank +is `N`, one needs ```bash export OMP_NUM_THREADS=$N;export OMP_PLACES=cores;export OMP_PROC_BIND=close ``` -If OpenMP is used for compilation but should not be used for execution, `N` should be set to 1 to avoid unintended effects. +If OpenMP is used for compilation but should not be used for execution, `N` +should be set to 1 to avoid unintended effects. ### Intel-MPI @@ -168,7 +211,7 @@ Validate with verbose output: `export I_MPI_DEBUG=4` . OpenMPI uses command line arguments, pinning may clash with SLURM settings depending on the exact call. -``` +```bash mpiexec.openmpi --rank-by core --map-by node:PE=${OMP_NUM_THREADS} -n $(($NGROUP*$NPROCS)) $DISCOTEC_EXECUTABLE ``` @@ -178,7 +221,7 @@ Validate with verbose output: `--report-bindings` . With mpt, one uses the `omplace` wrapper tool to set the correct pinning. -``` +```bash mpirun -n $(($NGROUP*$NPROCS)) omplace -v -nt ${OMP_NUM_THREADS} $DISCOTEC_EXECUTABLE ``` From d98414a1c2314bec4d10a2b8d375f1ef3e4b6d1e Mon Sep 17 00:00:00 2001 From: Freifrau von Bleifrei Date: Wed, 15 May 2024 12:33:09 +0900 Subject: [PATCH 07/11] readme: some more formatting --- README.md | 17 ++++++++++------- 1 file changed, 10 insertions(+), 7 deletions(-) diff --git a/README.md b/README.md index b3528fae..8413788d 100644 --- a/README.md +++ b/README.md @@ -71,7 +71,7 @@ the currently open issues. ### Installation instructions: spack -DisCoTec can be installed via Spack, which handles all dependencies. +DisCoTec can be installed via spack, which handles all dependencies. If you want to develop DisCoTec code or examples, the `spack dev-build` workflow is recommended as follows. @@ -193,23 +193,26 @@ is `N`, one needs export OMP_NUM_THREADS=$N;export OMP_PLACES=cores;export OMP_PROC_BIND=close ``` -If OpenMP is used for compilation but should not be used for execution, `N` +If OpenMP is used for compilation but should not be used for execution, `N` should be set to 1 to avoid unintended effects. ### Intel-MPI -Intel-MPI requires some [environment variables](https://software.intel.com/content/www/us/en/develop/documentation/mpi-developer-reference-linux/top/environment-variable-reference/process-pinning/environment-variables-for-process-pinning.html), in particular [for OpenMP](https://www.intel.com/content/www/us/en/docs/mpi-library/developer-guide-linux/2021-6/running-an-mpi-openmp-program.html): +Intel-MPI requires some [environment variables](https://software.intel.com/content/www/us/en/develop/documentation/mpi-developer-reference-linux/top/environment-variable-reference/process-pinning/environment-variables-for-process-pinning.html), +in particular [for OpenMP](https://www.intel.com/content/www/us/en/docs/mpi-library/developer-guide-linux/2021-6/running-an-mpi-openmp-program.html): ```bash mpiexec -n $(($NGROUP*$NPROCS)) -genv I_MPI_PIN_PROCESSOR_LIST="allcores" -genv I_MPI_PIN_DOMAIN=omp $DISCOTEC_EXECUTABLE ``` -In SLURM, it is important to set --ntasks-per-node to match the number of desired tasks ($CORES_PER_NODE/$OMP_NUM_THREADS). -Validate with verbose output: `export I_MPI_DEBUG=4` . +In SLURM, it is important to set --ntasks-per-node to match the number of +desired tasks (`$CORES_PER_NODE`/`$OMP_NUM_THREADS`). +Validate with verbose output: `export I_MPI_DEBUG=4` ### OpenMPI -OpenMPI uses command line arguments, pinning may clash with SLURM settings depending on the exact call. +OpenMPI uses command line arguments, pinning may clash with SLURM settings +depending on the exact call. ```bash mpiexec.openmpi --rank-by core --map-by node:PE=${OMP_NUM_THREADS} -n $(($NGROUP*$NPROCS)) $DISCOTEC_EXECUTABLE @@ -229,7 +232,7 @@ Validate with very verbose output: `-vv` . ## GENE submodules as dependencies for GENE examples -_Warning: The CMake Integration is currently not adapted to use GENE!_ +*Warning: The CMake Integration is currently not adapted to use GENE!* There are gene versions as submodules: a linear one in the gene_mgr folder, and a nonlinear one in gene-non-linear. To get them, you need access to their From 1769d23ad5d63a0d0b03d357d12b2ea4c5ea03af Mon Sep 17 00:00:00 2001 From: Freifrau von Bleifrei Date: Wed, 15 May 2024 13:19:34 +0900 Subject: [PATCH 08/11] readme: expand parallelism and execution --- README.md | 59 +++++++++++++++++++++++++++++++++++++++++++++++++++---- 1 file changed, 55 insertions(+), 4 deletions(-) diff --git a/README.md b/README.md index 8413788d..66a50450 100644 --- a/README.md +++ b/README.md @@ -52,9 +52,47 @@ reductions in compute and memory requirements. The DisCoTec framework can work with existing MPI parallelized solver codes operating on structured grids. In addition to the parallelism provided by the solver, it adds the combination -technique's parallelism: +technique's parallelism. +This is achieved through *process groups* (pgs): +`MPI_COMM_WORLD` is subdivided into equal-sized process groups +(and optionally, a manager rank). ![schematic of MPI ranks in DisCoTec](gfx/discotec-ranks.pdf) +The image describes the two ways of scaling up: +One can either increase the size or the number of process groups. +Figure originally published in (Pollinger [2024](https://elib.uni-stuttgart.de/handle/11682/14229)). + +All component grids are distributed to process groups (either statically, or +dynamically through the manager rank). +During the solver time step and most of the combination, MPI communication only +happens within the process groups. +Conversely, for the sparse grid reduction using the combination coefficients, +MPI communication only happens between a rank and its colleagues in the other +process groups, e.g., rank 0 in group 0 will only talk to rank 0 in all other groups. +Thus, major bottlenecks arising from global communication can be avoided altogether. + +Combining the two ways of scaling up, DisCoTec's scalability was demonstrated on +several machines, with the experiments comprising up to 524288 cores: +![timings for advection solver step on HAWK at various +parallelizations](gfx/times-solver-on-hawk.pdf)![timings for combination step on +HAWK at various parallelizations](gfx/times-combination-on-hawk.pdf) +We see the timings (in seconds) for the advection solver step and the +combination step, respectively. +This weak scaling experiment used four OpenMP threads per rank, and starts with +one pg of four processes in the upper left corner. +The largest parallelization is 64 pgs of 2048 processes each. +Figure originally published in (Pollinger [2024](https://elib.uni-stuttgart.de/handle/11682/14229)). + +This image also describes the challenges in large-scale experiments with DisCoTec: +If the process groups become too large, the MPI communication of the multiscale +transform starts to dominate the combination time. +If there are too many pgs, the combination reduction will dominate the +combination time. +However, the times required for the solver stay relatively constant; +they are determined by the solver's own scaling and the load balancing quality. + +There are only few codes that allow weak scaling up to this problem size: +a size that uses most of the available main memory of the entire system. ## Contributing @@ -129,7 +167,7 @@ cmake -S . -B build cmake --build build -j ``` -to build the combi_example. +to build the `combi_example`. For building only the DisCoTec library, run cmake with the `src` folder as source folder. @@ -168,7 +206,20 @@ Or you can run the tests with `ctest` in the build folder. ## Executing DisCoTec Binaries -TODO what's in ctparam +DisCoTec executables are configured through `ctparam` files, which are parsed on +startup. +The `ctparam` file will contain the combination technique parameters (dimension, +minimum and maximum level) as well as parallelization parameters (number and +size of process groups, parallelism within process groups) in `.ini` file format. + +Any DisCoTec executable must be run through MPI (either `mpirun` or `mpiexec`), +and if no argument to the binary is specified, it will use the file called +`ctparam` in the current working directory. +Make sure that it exists and describes the parameters you want to run. + +The exact format and naming in `ctparam` is not (yet) standardized, to allow +adaptation for different solver applications. +Please refer to existing parameter files. ## Rank and Thread Pinning @@ -218,7 +269,7 @@ depending on the exact call. mpiexec.openmpi --rank-by core --map-by node:PE=${OMP_NUM_THREADS} -n $(($NGROUP*$NPROCS)) $DISCOTEC_EXECUTABLE ``` -Validate with verbose output: `--report-bindings` . +Validate with verbose output: `--report-bindings` ### MPT From e3fb9aba6e1be19e59c7582254e6cde53a4ac377 Mon Sep 17 00:00:00 2001 From: Freifrau von Bleifrei Date: Wed, 15 May 2024 13:20:23 +0900 Subject: [PATCH 09/11] readme: add measurements from thesis --- gfx/times-combination-on-hawk.pdf | Bin 0 -> 82500 bytes gfx/times-solver-on-hawk.pdf | Bin 0 -> 76890 bytes 2 files changed, 0 insertions(+), 0 deletions(-) create mode 100644 gfx/times-combination-on-hawk.pdf create mode 100644 gfx/times-solver-on-hawk.pdf diff --git a/gfx/times-combination-on-hawk.pdf b/gfx/times-combination-on-hawk.pdf new file mode 100644 index 0000000000000000000000000000000000000000..94c00bf6f13b0d2c6e3dc892385ac5f5c7ca0851 GIT binary patch literal 82500 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dc5e9f5dabcf2e28d9c4fec87b2f3e34504a3ef8 Mon Sep 17 00:00:00 2001 From: Freifrau von Bleifrei Date: Wed, 15 May 2024 13:45:58 +0900 Subject: [PATCH 10/11] readme: add svg version of gfx and use them --- README.md | 12 +- gfx/combischeme-2d.svg | 3364 +++++++++++++++++++++ gfx/discotec-ranks.svg | 429 +++ gfx/times-combination-on-hawk.svg | 4492 +++++++++++++++++++++++++++++ gfx/times-solver-on-hawk.svg | 3439 ++++++++++++++++++++++ 5 files changed, 11732 insertions(+), 4 deletions(-) create mode 100644 gfx/combischeme-2d.svg create mode 100644 gfx/discotec-ranks.svg create mode 100644 gfx/times-combination-on-hawk.svg create mode 100644 gfx/times-solver-on-hawk.svg diff --git a/README.md b/README.md index 66a50450..f372010a 100644 --- a/README.md +++ b/README.md @@ -36,7 +36,8 @@ Taken together, all component grids form a sparse grid approximation, which can be explicitly obtained by a linear superposition of the individual grid functions, with the so-called combination coefficients. -![schematic of a combination scheme in 2D](gfx/combischeme-2d.pdf) +![schematic of a combination scheme in 2D](gfx/combischeme-2d.svg) + In this two-dimensional combination scheme, all combination coefficients are 1 and -1, respectively. Figure originally published in (Pollinger [2024](https://elib.uni-stuttgart.de/handle/11682/14229)). @@ -57,7 +58,8 @@ This is achieved through *process groups* (pgs): `MPI_COMM_WORLD` is subdivided into equal-sized process groups (and optionally, a manager rank). -![schematic of MPI ranks in DisCoTec](gfx/discotec-ranks.pdf) +![schematic of MPI ranks in DisCoTec](gfx/discotec-ranks.svg) + The image describes the two ways of scaling up: One can either increase the size or the number of process groups. Figure originally published in (Pollinger [2024](https://elib.uni-stuttgart.de/handle/11682/14229)). @@ -73,9 +75,11 @@ Thus, major bottlenecks arising from global communication can be avoided altoget Combining the two ways of scaling up, DisCoTec's scalability was demonstrated on several machines, with the experiments comprising up to 524288 cores: + ![timings for advection solver step on HAWK at various -parallelizations](gfx/times-solver-on-hawk.pdf)![timings for combination step on -HAWK at various parallelizations](gfx/times-combination-on-hawk.pdf) +parallelizations](gfx/times-solver-on-hawk.svg)![timings for combination step on +HAWK at various parallelizations](gfx/times-combination-on-hawk.svg) + We see the timings (in seconds) for the advection solver step and the combination step, respectively. This weak scaling experiment used four OpenMP threads per rank, and starts with diff --git a/gfx/combischeme-2d.svg b/gfx/combischeme-2d.svg new file mode 100644 index 00000000..316d2c44 --- /dev/null +++ b/gfx/combischeme-2d.svg @@ -0,0 +1,3364 @@ + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + 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316d2c44..e8fa908d 100644 --- a/gfx/combischeme-2d.svg +++ b/gfx/combischeme-2d.svg @@ -11,6 +11,13 @@ xmlns:svg="http://www.w3.org/2000/svg"> +