xref: /petsc/doc/install/install.md (revision d6ae5217716d0e83b63ef2baec5b10fcfb1fd4e8)
1(doc_config_faq)=
2
3# Configuring PETSc
4
5:::{important}
6Obtain PETSc via the repository or download the latest tarball: {ref}`download documentation <doc_download>`.
7
8See {ref}`quick-start tutorial <tut_install>` for a step-by-step walk-through of the installation process.
9:::
10
11```{contents} Table of Contents
12:backlinks: entry
13:depth: 1
14:local: true
15```
16
17## Common Example Usages
18
19:::{attention}
20There are many example `configure` scripts at `config/examples/*.py`. These cover a
21wide variety of systems, and we use some of these scripts locally for testing. One can
22modify these files and run them in lieu of writing one yourself. For example:
23
24```console
25$ ./config/examples/arch-ci-osx-dbg.py
26```
27
28If there is a system for which we do not yet have such a `configure` script and/or
29the script in the examples directory is outdated we welcome your feedback by submitting
30your recommendations to <mailto:petsc-maint@mcs.anl.gov>. See bug report {ref}`documentation
31<doc_creepycrawly>` for more information.
32:::
33
34- If you do not have a Fortran compiler or [MPICH](https://www.mpich.org/) installed
35  locally (and want to use PETSc from C only).
36
37  ```console
38  $ ./configure --with-cc=gcc --with-cxx=0 --with-fc=0 --download-f2cblaslapack --download-mpich
39  ```
40
41- Same as above - but install in a user specified (prefix) location.
42
43  ```console
44  $ ./configure --prefix=/home/user/soft/petsc-install --with-cc=gcc --with-cxx=0 --with-fc=0 --download-f2cblaslapack --download-mpich
45  ```
46
47- If [BLAS/LAPACK], MPI sources (in "-devel" packages in most Linux distributions) are already
48  installed in default system/compiler locations and `mpicc`, `mpif90`, mpiexec are available
49  via `$PATH` - configure does not require any additional options.
50
51  ```console
52  $ ./configure
53  ```
54
55- If [BLAS/LAPACK], MPI are already installed in known user location use:
56
57  ```console
58  $ ./configure --with-blaslapack-dir=/usr/local/blaslapack --with-mpi-dir=/usr/local/mpich
59  ```
60
61  or
62
63  ```console
64  $ ./configure --with-blaslapack-dir=/usr/local/blaslapack --with-cc=/usr/local/mpich/bin/mpicc --with-mpi-f90=/usr/local/mpich/bin/mpif90 --with-mpiexec=/usr/local/mpich/bin/mpiexec
65  ```
66
67:::{admonition} Note
68:class: yellow
69
70The configure options `CFLAGS`, `CXXFLAGS`, and `FFLAGS` overwrite most of the flags that PETSc would use by default. This is generally undesirable. To
71add to the default flags instead use `COPTFLAGS`, `CXXOPTFLAGS`, and `FOPTFLAGS` (these work for all uses of ./configure). The same holds for
72`CUDAFLAGS`, `HIPFLAGS`, and `SYCLFLAGS`.
73:::
74
75:::{admonition} Note
76:class: yellow
77
78Do not specify `--with-cc`, `--with-fc` etc for the above when using
79`--with-mpi-dir` - so that `mpicc`/ `mpif90` will be picked up from mpi-dir!
80:::
81
82- Build Complex version of PETSc (using c++ compiler):
83
84  ```console
85  $ ./configure --with-cc=gcc --with-fc=gfortran --with-cxx=g++ --with-clanguage=cxx --download-fblaslapack --download-mpich --with-scalar-type=complex
86  ```
87
88- Install 2 variants of PETSc, one with gnu, the other with Intel compilers. Specify
89  different `$PETSC_ARCH` for each build. See multiple PETSc install {ref}`documentation
90  <doc_multi>` for further recommendations:
91
92  ```console
93  $ ./configure PETSC_ARCH=linux-gnu --with-cc=gcc --with-cxx=g++ --with-fc=gfortran --download-mpich
94  $ make PETSC_ARCH=linux-gnu all test
95  $ ./configure PETSC_ARCH=linux-gnu-intel --with-cc=icc --with-cxx=icpc --with-fc=ifort --download-mpich --with-blaslapack-dir=/usr/local/mkl
96  $ make PETSC_ARCH=linux-gnu-intel all test
97  ```
98
99(doc_config_compilers)=
100
101## Compilers
102
103:::{important}
104If no compilers are specified - configure will automatically look for available MPI or
105regular compilers in the user's `$PATH` in the following order:
106
1071. `mpicc`/`mpicxx`/`mpif90`
1082. `gcc`/`g++`/`gfortran`
1093. `cc`/`CC` etc..
110:::
111
112- Specify compilers using the options `--with-cc`/`--with-cxx`/`--with-fc` for c,
113  c++, and fortran compilers respectively:
114
115  ```console
116  $ ./configure --with-cc=gcc --with-cxx=g++ --with-fc=gfortran
117  ```
118
119:::{important}
120It's best to use MPI compiler wrappers [^id9]. This can be done by either specifying
121`--with-cc=mpicc` or `--with-mpi-dir` (and not `--with-cc=gcc`)
122
123```console
124$ ./configure --with-cc=mpicc --with-cxx=mpicxx --with-fc=mpif90
125```
126
127or the following (but **without** `--with-cc=gcc`)
128
129```console
130$ ./configure --with-mpi-dir=/opt/mpich2-1.1
131```
132
133See {any}`doc_config_mpi` for details on how to select specific MPI compiler wrappers or the
134specific compiler used by the MPI compiler wrapper.
135:::
136
137- If a Fortran compiler is not available or not needed - disable using:
138
139  ```console
140  $ ./configure --with-fc=0
141  ```
142
143- If a c++ compiler is not available or not needed - disable using:
144
145  ```console
146  $ ./configure --with-cxx=0
147  ```
148
149`configure` defaults to building PETSc in debug mode. One can switch to optimized
150mode with the `configure` option `--with-debugging=0` (we suggest using a different
151`$PETSC_ARCH` for debug and optimized builds, for example arch-debug and arch-opt, this
152way you can switch between debugging your code and running for performance by simply
153changing the value of `$PETSC_ARCH`). See multiple install {ref}`documentation
154<doc_multi>` for further details.
155
156Additionally one can specify more suitable optimization flags with the options
157`COPTFLAGS`, `FOPTFLAGS`, `CXXOPTFLAGS`. For example when using gnu compilers with
158corresponding optimization flags:
159
160```console
161$ ./configure --with-cc=gcc --with-cxx=g++ --with-fc=gfortran --with-debugging=0 COPTFLAGS='-O3 -march=native -mtune=native' CXXOPTFLAGS='-O3 -march=native -mtune=native' FOPTFLAGS='-O3 -march=native -mtune=native' --download-mpich
162```
163
164:::{warning}
165`configure` cannot detect compiler libraries for certain set of compilers. In this
166case one can specify additional system/compiler libraries using the `LIBS` option:
167
168```console
169$ ./configure --LIBS='-ldl /usr/lib/libm.a'
170```
171:::
172
173(doc_config_externalpack)=
174
175## External Packages
176
177:::{admonition} Note
178:class: yellow
179
180[BLAS/LAPACK] is the only **required** {ref}`external package <doc_externalsoftware>`
181(other than of course build tools such as compilers and `make`). PETSc may be built
182and run without MPI support if processing only in serial.
183
184For any {ref}`external packages <doc_externalsoftware>` used with PETSc we highly
185recommend you have PETSc download and install the packages, rather than you installing
186them separately first. This insures that:
187
188- The packages are installed with the same compilers and compiler options as PETSc
189  so that they can work together.
190- A **compatible** version of the package is installed. A generic install of this
191  package might not be compatible with PETSc (perhaps due to version differences - or
192  perhaps due to the requirement of additional patches for it to work with PETSc).
193- Some packages have bug fixes, portability patches, and upgrades for dependent
194  packages that have not yet been included in an upstream release, and hence may not
195  play nice with PETSc.
196:::
197
198PETSc provides interfaces to various {ref}`external packages <doc_externalsoftware>`. One
199can optionally use external solvers like [HYPRE], [MUMPS], and others from within PETSc
200applications.
201
202PETSc `configure` has the ability to download and install these {ref}`external packages
203<doc_externalsoftware>`. Alternatively if these packages are already installed, then
204`configure` can detect and use them.
205
206If you are behind a firewall and cannot use a proxy for the downloads or have a very slow
207network, use the additional option `--with-packages-download-dir=/path/to/dir`. This
208will trigger `configure` to print the URLs of all the packages you must download. You
209may then download the packages to some directory (do not uncompress or untar the files)
210and then point `configure` to these copies of the packages instead of trying to download
211them directly from the internet.
212
213The following modes can be used to download/install {ref}`external packages
214<doc_externalsoftware>` with `configure`.
215
216- `--download-PACKAGENAME`: Download specified package and install it, enabling PETSc to
217  use this package. **This is the recommended method to couple any external packages with PETSc**:
218
219  ```console
220  $ ./configure --download-fblaslapack --download-mpich
221  ```
222
223- `--download-PACKAGENAME=/path/to/PACKAGENAME.tar.gz`: If `configure` cannot
224  automatically download the package (due to network/firewall issues), one can download
225  the package by alternative means (perhaps wget, curl, or scp via some other
226  machine). Once the tarfile is downloaded, the path to this file can be specified to
227  configure with this option. `configure` will proceed to install this package and then
228  configure PETSc with it:
229
230  ```console
231  $ ./configure --download-mpich=/home/petsc/mpich2-1.0.4p1.tar.gz
232  ```
233
234- `--with-PACKAGENAME-dir=/path/to/dir`: If the external package is already installed -
235  specify its location to `configure` (it will attempt to detect and include relevant
236  library files from this location). Normally this corresponds to the top-level
237  installation directory for the package:
238
239  ```console
240  $ ./configure --with-mpi-dir=/home/petsc/software/mpich2-1.0.4p1
241  ```
242
243- `--with-PACKAGENAME-include=/path/to/include/dir` and
244  `--with-PACKAGENAME-lib=LIBRARYLIST`: Usually a package is defined completely by its
245  include file location and library list. If the package is already installed one can use
246  these two options to specify the package to `configure`. For example:
247
248  ```console
249  $ ./configure --with-superlu-include=/home/petsc/software/superlu/include --with-superlu-lib=/home/petsc/software/superlu/lib/libsuperlu.a
250  ```
251
252  or
253
254  ```console
255  $ ./configure --with-parmetis-include=/sandbox/balay/parmetis/include --with-parmetis-lib="-L/sandbox/balay/parmetis/lib -lparmetis -lmetis"
256  ```
257
258  or
259
260  ```console
261  $ ./configure --with-parmetis-include=/sandbox/balay/parmetis/include --with-parmetis-lib=[/sandbox/balay/parmetis/lib/libparmetis.a,libmetis.a]
262  ```
263
264:::{note}
265- Run `./configure --help` to get the list of {ref}`external packages
266  <doc_externalsoftware>` and corresponding additional options (for example
267  `--with-mpiexec` for [MPICH]).
268- Generally one would use either one of the above installation modes for any given
269  package - and not mix these. (i.e combining `--with-mpi-dir` and
270  `--with-mpi-include` etc. should be avoided).
271- Some packages might not support certain options like `--download-PACKAGENAME` or
272  `--with-PACKAGENAME-dir`. Architectures like Microsoft Windows might have issues
273  with these options. In these cases, `--with-PACKAGENAME-include` and
274  `--with-PACKAGENAME-lib` options should be preferred.
275:::
276
277- `--with-packages-build-dir=PATH`: By default, external packages will be unpacked and
278  the build process is run in `$PETSC_DIR/$PETSC_ARCH/externalpackages`. However one
279  can choose a different location where these packages are unpacked and the build process
280  is run.
281
282(doc_config_blaslapack)=
283
284## BLAS/LAPACK
285
286These packages provide some basic numeric kernels used by PETSc. `configure` will
287automatically look for [BLAS/LAPACK] in certain standard locations, on most systems you
288should not need to provide any information about [BLAS/LAPACK] in the `configure`
289command.
290
291One can use the following options to let `configure` download/install [BLAS/LAPACK]
292automatically:
293
294- When fortran compiler is present:
295
296  ```console
297  $ ./configure --download-fblaslapack
298  ```
299
300- Or when configuring without a Fortran compiler - i.e `--with-fc=0`:
301
302  ```console
303  $ ./configure --download-f2cblaslapack
304  ```
305
306Alternatively one can use other options like one of the following:
307
308```console
309$ ./configure --with-blaslapack-lib=libsunperf.a
310$ ./configure --with-blas-lib=libblas.a --with-lapack-lib=liblapack.a
311$ ./configure --with-blaslapack-dir=/soft/com/packages/intel/13/079/mkl
312```
313
314### Intel MKL
315
316Intel provides [BLAS/LAPACK] via the [MKL] library. One can specify it
317to PETSc `configure` with `--with-blaslapack-dir=$MKLROOT` or
318`--with-blaslapack-dir=/soft/com/packages/intel/13/079/mkl`. If the above option does
319not work - one could determine the correct library list for your compilers using Intel
320[MKL Link Line Advisor] and specify with the `configure` option
321`--with-blaslapack-lib`
322
323### IBM ESSL
324
325Sadly, IBM's [ESSL] does not have all the routines of [BLAS/LAPACK] that some
326packages, such as [SuperLU] expect; in particular slamch, dlamch and xerbla. In this
327case instead of using [ESSL] we suggest `--download-fblaslapack`. If you really want
328to use [ESSL], see <https://www.pdc.kth.se/hpc-services>.
329
330(doc_config_mpi)=
331
332## MPI
333
334The Message Passing Interface (MPI) provides the parallel functionality for PETSc.
335
336MPI might already be installed. IBM, Intel, NVIDIA, and Cray provide their own and Linux and macOS package
337managers also provide open-source versions called MPICH and Open MPI. If MPI is not already installed use
338the following options to let PETSc's `configure` download and install MPI.
339
340- For [MPICH]:
341
342  ```console
343  $ ./configure --download-mpich
344  ```
345
346- For [Open MPI]:
347
348  ```console
349  $ ./configure --download-openmpi
350  ```
351
352- To not use MPI:
353
354  ```console
355  $ ./configure --with-mpi=0
356  ```
357
358- To use an installed version of MPI
359
360  ```console
361  $ ./configure --with-cc=mpicc --with-cxx=mpicxx --with-fc=mpif90
362  ```
363
364- The Intel MPI library provides MPI compiler wrappers with compiler specific names.
365
366  GNU compilers: `gcc`, `g++`, `gfortran`:
367
368  ```console
369  $ ./configure --with-cc=mpigcc --with-cxx=mpigxx --with-fc=mpif90
370  ```
371
372  "Old" Intel compilers: `icc`, `icpc`, and `ifort`:
373
374  ```console
375  $ ./configure --with-cc=mpiicc --with-cxx=mpiicpc --with-fc=mpiifort
376  ```
377
378  they might not work with some Intel MPI library versions. In those cases, use
379
380  ```console
381  $ export I_MPI_CC=icc && export I_MPI_CXX=icpc && export I_MPI_F90=ifort
382  $ ./configure --with-cc=mpicc --with-cxx=mpicxx --with-fc=mpif90
383  ```
384
385- "New" oneAPI Intel compilers: `icx`, `icpx`, and `ifx`:
386
387  ```console
388  $ ./configure --with-cc=mpiicx --with-cxx=mpiicpx --with-fc=mpiifx
389  ```
390
391  they might not work with some Intel MPI library versions. In those cases, use
392
393  ```console
394  $ export I_MPI_CC=icx && export I_MPI_CXX=icpx && export I_MPI_F90=ifx
395  $ ./configure --with-cc=mpicc --with-cxx=mpicxx --with-fc=mpif90
396  ```
397
398- On Cray systems, after loading the appropriate MPI module, the regular compilers `cc`, `CC`, and `ftn`
399  automatically become MPI compiler wrappers.
400
401  ```console
402  $ ./configure --with-cc=cc --with-cxx=CC --with-fc=ftn
403  ```
404
405- Instead of providing the MPI compiler wrappers, one can provide the MPI installation directory, where the MPI compiler wrappers are available in the bin directory,
406  (without additionally specifying `--with-cc` etc.) using
407
408  ```console
409  $  ./configure --with-mpi-dir=/absolute/path/to/mpi/install/directory
410  ```
411
412- To control the compilers selected by `mpicc`, `mpicxx`, and `mpif90` one may use environmental
413  variables appropriate for the MPI libraries. For Intel MPI, MPICH, and Open MPI they are
414
415  ```console
416  $ export I_MPI_CC=c_compiler && export I_MPI_CXX=c++_compiler && export I_MPI_F90=fortran_compiler
417  $ export MPICH_CC=c_compiler && export MPICH_CXX=c++_compiler && export MPICH_FC=fortran_compiler
418  $ export OMPI_CC=c_compiler && export OMPI_CXX=c++_compiler && export OMPI_FC=fortran_compiler
419  ```
420
421  Then, use
422
423  ```console
424  $ ./configure --with-cc=mpicc --with-fc=mpif90 --with-cxx=mpicxx
425  ```
426
427  We recommend avoiding these environmental variables unless absolutely necessary.
428  They are easy to forget or they may be set and then forgotten, thus resulting in unexpected behavior.
429
430  And avoid using the syntax `--with-cc="mpicc -cc=icx"` - this can break some builds (for example: external packages that use CMake)
431
432  :::{note}
433  The Intel environmental variables `I_MPI_CC`, `I_MPI_CXX`, and `I_MPI_F90` also changing the
434  behavior of the compiler-specific MPI compiler wrappers ``` mpigcc, ``mpigxx ```, `mpif90`, `mpiicx`,
435  `mpiicpx`, `mpiifx`, `mpiicc`, `mpiicpc`, and `mpiifort`. These variables may be automatically
436  set by certain modules. So one must be careful to ensure they are using the desired compilers.
437  :::
438
439### Installing With Open MPI With Shared MPI Libraries
440
441[Open MPI] defaults to building shared libraries for MPI. However, the binaries generated
442by MPI compiler wrappers `mpicc`/`mpif90` etc. require `$LD_LIBRARY_PATH` to be set to the
443location of these libraries.
444
445Due to this [Open MPI] restriction one has to set `$LD_LIBRARY_PATH` correctly (per [Open MPI] [installation instructions]), before running PETSc `configure`. If you do not set this environmental variables you will get messages when running `configure` such as:
446
447```text
448UNABLE to EXECUTE BINARIES for config/configure.py
449-------------------------------------------------------------------------------
450Cannot run executables created with C. If this machine uses a batch system
451to submit jobs you will need to configure using/configure.py with the additional option --with-batch.
452Otherwise there is problem with the compilers. Can you compile and run code with your C/C++ (and maybe Fortran) compilers?
453```
454
455or when running a code compiled with [Open MPI]:
456
457```text
458error while loading shared libraries: libmpi.so.0: cannot open shared object file: No such file or directory
459```
460
461(doc_macos_install)=
462
463## Installing On macOS
464
465For development on macOS we recommend installing **both** the Apple Xcode GUI development system (install from the Apple macOS store) and the Xcode Command Line tools [^id10] install with
466
467```console
468$ xcode-select --install
469```
470
471The Apple compilers are `clang` and `clang++` [^id11]. Apple also provides `/usr/bin/gcc`, which is, confusingly, a link to the `clang` compiler, not the GNU compiler.
472
473We also recommend installing the package manager [homebrew](https://brew.sh/). To install `gfortran` one can use
474
475```console
476$ brew update
477$ brew list            # Show all packages installed through brew
478$ brew upgrade         # Update packages already installed through brew
479$ brew install gcc
480```
481
482This installs gfortran, gcc, and g++ with the compiler names
483`gfortran-version` (also available as `gfortran`), `gcc-version` and `g++-version`, for example `gfortran-12`, `gcc-12`, and `g++-12`.
484
485After upgrading macOS, you generally need to update the Xcode GUI development system (using the standard Apple software update system),
486and the Xcode Command Line tools (run `xcode-select --install` again).
487
488Its best to update `brew` after all macOS or Xcode upgrades (use `brew upgrade`). Sometimes gfortran will not work correctly after an upgrade. If this happens
489it is best to reinstall all `brew` packages using, for example,
490
491```console
492$ brew leaves > list.txt         # save list of formulae to re-install
493$ brew list --casks >> list.txt  # save list of casks to re-install
494$ emacs list.txt                 # edit list.txt to remove any unneeded formulae or casks
495$ brew uninstall `brew list`     # delete all installed formulae and casks
496$ brew cleanup
497$ brew update
498$ brew install `cat list.txt`    # install needed formulae and casks
499```
500
501(doc_config_install)=
502
503## Installation Location: In-place or Out-of-place
504
505By default, PETSc does an in-place installation, meaning the libraries are kept in the
506same directories used to compile PETSc. This is particularly useful for those application
507developers who follow the PETSc git repository main or release branches since rebuilds
508for updates are very quick and painless.
509
510:::{note}
511The libraries and include files are located in `$PETSC_DIR/$PETSC_ARCH/lib` and
512`$PETSC_DIR/$PETSC_ARCH/include`
513:::
514
515### Out-of-place Installation With `--prefix`
516
517To install the libraries and include files in another location use the `--prefix` option
518
519```console
520$ ./configure --prefix=/home/userid/my-petsc-install --some-other-options
521```
522
523The libraries and include files will be located in `/home/userid/my-petsc-install/lib`
524and `/home/userid/my-petsc-install/include`.
525
526### Installation in Root Location, **Not Recommended** (Uncommon)
527
528:::{warning}
529One should never run `configure` or make on any package using root access. **Do so at
530your own risk**.
531:::
532
533If one wants to install PETSc in a common system location like `/usr/local` or `/opt`
534that requires root access we suggest creating a directory for PETSc with user privileges,
535and then do the PETSc install as a **regular/non-root** user:
536
537```console
538$ sudo mkdir /opt/petsc
539$ sudo chown user:group /opt/petsc
540$ cd /home/userid/petsc
541$ ./configure --prefix=/opt/petsc/my-root-petsc-install --some-other-options
542$ make
543$ make install
544```
545
546### Installs For Package Managers: Using `DESTDIR` (Very uncommon)
547
548```console
549$ ./configure --prefix=/opt/petsc/my-root-petsc-install
550$ make
551$ make install DESTDIR=/tmp/petsc-pkg
552```
553
554Package up `/tmp/petsc-pkg`. The package should then be installed at
555`/opt/petsc/my-root-petsc-install`
556
557### Multiple Installs Using `--prefix` (See `DESTDIR`)
558
559Specify a different `--prefix` location for each configure of different options - at
560configure time. For example:
561
562```console
563$ ./configure --prefix=/opt/petsc/petsc-3.23.0-mpich --with-mpi-dir=/opt/mpich
564$ make
565$ make install [DESTDIR=/tmp/petsc-pkg]
566$ ./configure --prefix=/opt/petsc/petsc-3.23.0-openmpi --with-mpi-dir=/opt/openmpi
567$ make
568$ make install [DESTDIR=/tmp/petsc-pkg]
569```
570
571### In-place Installation
572
573The PETSc libraries and generated included files are placed in the sub-directory off the
574current directory `$PETSC_ARCH` which is either provided by the user with, for example:
575
576```console
577$ export PETSC_ARCH=arch-debug
578$ ./configure
579$ make
580$ export PETSC_ARCH=arch-opt
581$ ./configure --some-optimization-options
582$ make
583```
584
585or
586
587```console
588$ ./configure PETSC_ARCH=arch-debug
589$ make
590$ ./configure --some-optimization-options PETSC_ARCH=arch-opt
591$ make
592```
593
594If not provided `configure` will generate a unique value automatically (for in-place non
595`--prefix` configurations only).
596
597```console
598$ ./configure
599$ make
600$ ./configure --with-debugging=0
601$ make
602```
603
604Produces the directories (on an Apple macOS machine) `$PETSC_DIR/arch-darwin-c-debug` and
605`$PETSC_DIR/arch-darwin-c-opt`.
606
607## Installing On Machine Requiring Cross Compiler Or A Job Scheduler
608
609On systems where you need to use a job scheduler or batch submission to run jobs use the
610`configure` option `--with-batch`. **On such systems the make check option will not
611work**.
612
613- You must first ensure you have loaded appropriate modules for the compilers etc that you
614  wish to use. Often the compilers are provided automatically for you and you do not need
615  to provide `--with-cc=XXX` etc. Consult with the documentation and local support for
616  such systems for information on these topics.
617- On such systems you generally should not use `--with-blaslapack-dir` or
618  `--download-fblaslapack` since the systems provide those automatically (sometimes
619  appropriate modules must be loaded first).
620- Some package's `--download-package` options do not work on these systems, for example
621  [HDF5]. Thus you must use modules to load those packages and `--with-package` to
622  configure with the package.
623- Since building {ref}`external packages <doc_externalsoftware>` on these systems is often
624  troublesome and slow we recommend only installing PETSc with those configuration
625  packages that you need for your work, not extras.
626
627(doc_config_tau)=
628
629## Installing With TAU Instrumentation Package
630
631[TAU] package and the prerequisite [PDT] packages need to be installed separately (perhaps with MPI). Now use tau_cc.sh as compiler to PETSc configure:
632
633```console
634$ export TAU_MAKEFILE=/home/balay/soft/linux64/tau-2.20.3/x86_64/lib/Makefile.tau-mpi-pdt
635$ ./configure CC=/home/balay/soft/linux64/tau-2.20.3/x86_64/bin/tau_cc.sh --with-fc=0 PETSC_ARCH=arch-tau
636```
637
638(doc_config_accel)=
639
640## Installing PETSc To Use GPUs And Accelerators
641
642PETSc is able to take advantage of GPU's and certain accelerator libraries, however some require additional `configure` options.
643
644(doc_config_accel_cuda)=
645
646### `OpenMP`
647
648Use `--with-openmp` to allow PETSc to be used within an OpenMP application; this also turns on OpenMP for all the packages that
649PETSc builds using `--download-xxx`. If your application calls PETSc from within OpenMP threads then also use `--with-threadsafety`.
650
651Use `--with-openmp-kernels` to have some PETSc numerical routines use OpenMP to speed up their computations. This requires `--with-openmp`.
652
653Note that using OpenMP within MPI code must be done carefully to prevent too many OpenMP threads that overload the number of cores.
654
655### [CUDA]
656
657:::{important}
658An NVIDIA GPU is **required** to use [CUDA]-accelerated code. Check that your machine
659has a [CUDA] enabled GPU by consulting <https://developer.nvidia.com/cuda-gpus>.
660:::
661
662On Linux - verify [^id12] that CUDA compatible [NVIDIA driver](https://www.nvidia.com/en-us/drivers) is installed.
663
664On Microsoft Windows - Use either [Cygwin] or [WSL] the latter of which is entirely untested right
665now. If you have experience with [WSL] and/or have successfully built PETSc on Microsoft Windows
666for use with [CUDA] we welcome your input at <mailto:petsc-maint@mcs.anl.gov>. See the
667bug-reporting {ref}`documentation <doc_creepycrawly>` for more details.
668
669In most cases you need only pass the configure option `--with-cuda`; check
670`config/examples/arch-ci-linux-cuda-double.py` for example usage.
671
672CUDA build of PETSc currently works on Mac OS X, Linux, Microsoft Windows with [Cygwin].
673
674Examples that use CUDA have the suffix .cu; see `$PETSC_DIR/src/snes/tutorials/ex47cu.cu`
675
676(doc_config_accel_kokkos)=
677
678### [Kokkos]
679
680In most cases you need only pass the configure option `--download-kokkos` `--download-kokkos-kernels`
681and one of `--with-cuda`, `--with-openmp`, or `--with-pthread` (or nothing to use sequential
682[Kokkos]). See the {ref}`CUDA installation documentation <doc_config_accel_cuda>`,
683{ref}`Open MPI installation documentation <doc_config_mpi>` for further reference on their
684respective requirements.
685
686Examples that use [Kokkos] at user-level have the suffix .kokkos.cxx; see
687`src/snes/tutorials/ex3k.kokkos.cxx`. More examples use [Kokkos] through options database;
688search them with `grep -r -l "requires:.*kokkos_kernels" src/`.
689
690(doc_config_accel_opencl)=
691
692### [OpenCL]/[ViennaCL]
693
694Requires the [OpenCL] shared library, which is shipped in the vendor graphics driver and
695the [OpenCL] headers; if needed you can download them from the Khronos Group
696directly. Package managers on Linux provide these headers through a package named
697'opencl-headers' or similar. On Apple systems the [OpenCL] drivers and headers are always
698available and do not need to be downloaded.
699
700Always make sure you have the latest GPU driver installed. There are several known issues
701with older driver versions.
702
703Run `configure` with `--download-viennacl`; check
704`config/examples/arch-ci-linux-viennacl.py` for example usage.
705
706[OpenCL]/[ViennaCL] builds of PETSc currently work on Mac OS X, Linux, and Microsoft Windows.
707
708(doc_emcc)=
709
710## Installing To Run in Browser with Emscripten
711
712PETSc can be used to run applications in the browser using <https://emscripten.org>, see <https://emscripten.org/docs/getting_started/downloads.html>,
713for instructions on installing Emscripten. Run
714
715```console
716$  ./configure --with-cc=emcc --with-cxx=0 --with-fc=0 --with-ranlib=emranlib --with-ar=emar --with-shared-libraries=0 --download-f2cblaslapack=1 --with-mpi=0 --with-batch
717```
718
719Applications may be compiled with, for example,
720
721```console
722$  make ex19.html
723```
724
725The rule for linking may be found in <a href="PETSC_DOC_OUT_ROOT_PLACEHOLDER/lib/petsc/conf/rules">lib/petsc/conf/rules></a>
726
727(doc_config_hpc)=
728
729## Installing On Large Scale DOE Systems
730
731There are some notes on our [GitLab Wiki](https://gitlab.com/petsc/petsc/-/wikis/Installing-and-Running-on-Large-Scale-Systems)
732which may be helpful in installing and running PETSc on large scale
733systems. Also note the configuration examples in `config/examples`.
734
735```{rubric} Footnotes
736```
737
738[^id9]: All MPI implementations provide convenience scripts for compiling MPI codes that internally call regular compilers, they are commonly named `mpicc`, `mpicxx`, and `mpif90`. We call these "MPI compiler wrappers".
739
740[^id10]: The two packages provide slightly different (though largely overlapping) functionality which can only be fully used if both packages are installed.
741
742[^id11]: Apple provides customized `clang` and `clang++` for its system. To use the unmodified LLVM project `clang` and `clang++`
743    install them with brew.
744
745[^id12]: To verify CUDA compatible Nvidia driver on Linux - run the utility `nvidia-smi` - it should provide the version of the Nvidia driver currently installed, and the maximum CUDA version it supports.
746
747[blas/lapack]: https://www.netlib.org/lapack/lug/node11.html
748[cuda]: https://developer.nvidia.com/cuda-toolkit
749[cygwin]: https://www.cygwin.com/
750[essl]: https://www.ibm.com/support/knowledgecenter/en/SSFHY8/essl_welcome.html
751[hdf5]: https://www.hdfgroup.org/solutions/hdf5/
752[hypre]: https://computing.llnl.gov/projects/hypre-scalable-linear-solvers-multigrid-methods
753[installation instructions]: https://www.open-mpi.org/faq/?category=building
754[kokkos]: https://github.com/kokkos/kokkos
755[metis]: http://glaros.dtc.umn.edu/gkhome/metis/metis/overview
756[mkl]: https://software.intel.com/content/www/us/en/develop/tools/oneapi/components/onemkl.html
757[mkl link line advisor]: https://software.intel.com/content/www/us/en/develop/articles/intel-mkl-link-line-advisor.html
758[modules]: https://www.alcf.anl.gov/support-center/theta/compiling-and-linking-overview-theta-thetagpu
759[mpich]: https://www.mpich.org/
760[mumps]: https://mumps-solver.org/
761[open mpi]: https://www.open-mpi.org/
762[opencl]: https://www.khronos.org/opencl/
763[parmetis]: http://glaros.dtc.umn.edu/gkhome/metis/parmetis/overview
764[pdt]: https://www.cs.uoregon.edu/research/pdt/home.php
765[superlu]: https://portal.nersc.gov/project/sparse/superlu/
766[superlu_dist]: https://github.com/xiaoyeli/superlu_dist
767[tau]: https://www.cs.uoregon.edu/research/tau/home.php
768[viennacl]: http://viennacl.sourceforge.net/
769[wsl]: https://docs.microsoft.com/en-us/windows/wsl/install-win10
770