| ... | ... | @@ -6,7 +6,7 @@ This file provides documentation on how to build the *ELPA* library in **version |
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With release of **version ELPA-2017.05.001** the build process has been significantly simplified,
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which makes it easier to install the *ELPA* library.
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## How to install *ELPA *##
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## How to install *ELPA* ##
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First of all, if you do not want to build *ELPA* yourself, and you run Linux,
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it is worth having a look at the [*ELPA* webpage*] (http://elpa.mpcdf.mpg.de)
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| ... | ... | @@ -18,9 +18,9 @@ If you want to build (or have to since no packages are available) *ELPA* yoursel |
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please note that *ELPA* is shipped with a typical "configure" and "make"
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autotools procedure. This is the **only supported way** how to build and install *ELPA*.
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If you obtained *ELPA* from the official git repository, you will not find
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the needed configure script! Please look at the "**INSTALL_FROM_GIT_VERSION**" file
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for the documentation how to proceed.
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the needed configure script! You will have to create the configure scipt with autoconf.
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## (A): Installing *ELPA* as library with configure ##
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| ... | ... | @@ -35,50 +35,35 @@ Please look at configure --help for all available options. |
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An excerpt of the most important (*ELPA* specific) options reads as follows:
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--disable-legacy do not build legacy API, default yes
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--enable-openmp use OpenMP threading, default no.
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--enable-redirect for test programs, allow redirection of
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stdout/stderr per MPI taks in a file (useful for
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timing), default no.
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--enable-single-precision
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build with single precision
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--disable-timings more detailed timing, default yes
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--disable-band-to-full-blocking
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build ELPA2 with blocking in band_to_full (default:
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enabled)
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--disable-mpi-module do not use the Fortran MPI module, get interfaces by
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'include "mpif.h')
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--disable-generic do not build GENERIC kernels, default: enabled
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--disable-sse do not build SSE kernels, default: enabled
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--disable-sse-assembly do not build SSE_ASSEMBLY kernels, default: enabled
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--disable-avx do not build AVX kernels, default: enabled
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--disable-avx2 do not build AVX2 kernels, default: enabled
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--enable-avx512 build AVX512 kernels, default: disabled
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--enable-gpu build GPU kernels, default: disabled
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--enable-bgp build BGP kernels, default: disabled
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--enable-bgq build BGQ kernels, default: disabled
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--with-mpi=[yes|no] compile with MPI. Default: yes
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--with-cuda-path=PATH prefix where CUDA is installed [default=auto]
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--with-cuda-sdk-path=PATH
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prefix where CUDA SDK is installed [default=auto]
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--with-GPU-compute-capability=VALUE
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use compute capability VALUE for GPU version,
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default: "sm_35"
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--with-fixed-real-kernel=KERNEL
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compile with only a single specific real kernel.
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Available kernels are: generic generic_simple
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sse_block2 sse_block4 sse_block6 sse_assembly
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avx_block2 avx_block4 avx_block6 avx2_block2
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avx2_block4 avx2_block6 avx512_block2 avx512_block4
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avx512_block6 bgp bgq
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--with-fixed-complex-kernel=KERNEL
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compile with only a single specific complex kernel.
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Available kernels are: generic generic_simple
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sse_block1 sse_block2 sse_assembly avx_block1
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avx_block2 avx2_block1 avx2_block2 avx512_block1
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avx512_block2 bgp bgq
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--with-gpu-support-only Compile and always use the GPU version
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| configure option | description |
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|:------------------------------------ |:----------------------------------------------------- |
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| --disable-legacy | do not build legacy API, will be build as default |
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| --enable-openmp | use OpenMP threading, default no. |
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| --enable-redirect | for ELPA test programs, allow redirection of <br> stdout/stderr per MPI taks in a file <br> (useful for timing), default no. |
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| --enable-single-precision | build with single precision version |
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| --disable-timings | more detailed timing, default yes <br> **If disabled some features like autotune will <br> not work anymmore !** |
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| --disable-band-to-full-blocking | build ELPA2 with blocking in band_to_full <br> (default:enabled) |
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| --disable-mpi-module | do not use the Fortran MPI module, <br> get interfaces by 'include "mpif.h') |
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| --disable-generic | do not build GENERIC kernels, default: enabled |
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| --disable-sse | do not build SSE kernels, default: enabled |
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| --disable-sse-assembly | do not build SSE_ASSEMBLY kernels, default: enabled |
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| --disable-avx | do not build AVX kernels, default: enabled |
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| --disable-avx2 | do not build AVX2 kernels, default: enabled |
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| --enable-avx512 | build AVX512 kernels, default: disabled |
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| --enable-gpu | build GPU kernels, default: disabled |
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| --enable-bgp | build BGP kernels, default: disabled |
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| --enable-bgq | build BGQ kernels, default: disabled |
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| --with-mpi=[yes|no] | compile with MPI. Default: yes |
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| --with-cuda-path=PATH | prefix where CUDA is installed [default=auto] |
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| --with-cuda-sdk-path=PATH | prefix where CUDA SDK is installed [default=auto] |
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| --with-GPU-compute-capability=VALUE | use compute capability VALUE for GPU version, <br> default: "sm_35" |
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| --with-fixed-real-kernel=KERNEL | compile with only a single specific real kernel. |
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| --with-fixed-complex-kernel=KERNEL | compile with only a single specific complex kernel. |
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| --with-gpu-support-only | Compile and always use the GPU version |
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| --enable-scalapack-tests | build SCALAPACK test cases for performance <br> omparison, needs MPI, default no. |
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| --enable-autotuning | enables autotuning functionality, default yes |
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| --enable-c-tests | enables the C tests for elpa, default yes |
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| --disable-assumed-size | do NOT use assumed-size Fortran arrays. default use |
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We recommend that you do not build ELPA in its main directory but that you use it
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in a sub-directory:
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| ... | ... | @@ -96,6 +81,9 @@ for the Fortran and C part. |
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For example sth. like this is a usual way: ./configure FCFLAGS="-O2 -mavx" CFLAGS="-O2 -mavx"
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For details, please have a look at the documentation for the compilers of your choice.
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**Note** that most kernels can only be build if the correct compiler flags for this kernel (e.g. AVX-512)
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have been enabled.
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### Choice of building with or without MPI ###
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| ... | ... | @@ -111,6 +99,8 @@ has also been build without MPI support. |
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If you want to build *ELPA* with MPI support, please have a look at "A) Setting of MPI compiler and libraries".
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For builds without MPI support, please have a look at "B) Building *ELPA* without MPI support".
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**NOTE** that if *ELPA* is build without MPI support, it will be serial unless the OpenMP parallization is
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explicitely enabled.
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Please note, that it is absolutely supported that both versions of the *ELPA* library are build
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and installed in the same directory.
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| ... | ... | @@ -123,11 +113,9 @@ cannot automatically found, it is recommended to set it by hand with a variable, |
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configure FC=mpif90
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Please note, that setting a C MPI-compiler is NOT necessary, and in most cases even harmful.
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In some cases, on your system different MPI libraries and compilers are installed. Then it might happen
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that during the build step an error like "no module mpi" or "cannot open module mpi" is given.
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You can disable that the *ELPA* library uses MPI modules (and instead uses MPI header files) by
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You can disable that the *ELPA* library uses a MPI modules (and instead uses MPI header files) by
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adding
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--disable-mpi-module
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| ... | ... | @@ -141,15 +129,15 @@ Please continue reading at "C) Enabling GPU support" |
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If you want to build *ELPA* without MPI support, add
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--with-mpi=0
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--with-mpi=no
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to your configure call.
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You have to specify which compilers should be used with e.g.,
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configure FC=gfortran --with-mpi=0
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configure FC=gfortran --with-mpi=no
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DO NOT specify a MPI compiler here!
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**DO NOT specify a MPI compiler here!**
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Note, that the installed *ELPA* library files will be suffixed with
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"_onenode", in order to discriminate this build from possible ones with MPI.
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