Installation guide for lapack

You can check whether CMake is installed, and what version it is, with cmake --version. FFTW is likely to be available for your platform via its package management system, but there can be compatibility and significant performance issues associated with these packages. Choose the precision for FFTW i. On x86 hardware, compile with both --enable-sse2 and --enable-avx for FFTW From FFTW FFTW will create a fat library with codelets for all different instruction sets, and pick the fastest supported one at runtime.

Use MKL bundled with Intel compilers by setting up the compiler environment, e. The full list and order! Y use the following cmake options:. Run-time detection of hardware capabilities can be improved by linking with hwloc. Configuring these is discussed at linear algebra libraries. Only lmfit 7. The GROMACS utility programs often write data files in formats suitable for the Grace plotting tool, but it is straightforward to use these files in other plotting programs, too.

This supports additional testing and documentation generation. There are many resources available on the web, which we suggest you search for when you encounter problems not covered here. For other platforms, see the specialist instructions below. If your build machine is the same as your target machine, then you can be sure that the defaults and detection will be pretty good.

However, if you want to control aspects of the build, or you are compiling on a cluster head node for back-end nodes with a different architecture, there are a few things you should consider specifying. This can be outside the source directory, or a subdirectory of it. It also means you can never corrupt your source code by trying to build it! So, the only required argument on the CMake command line is the name of the directory containing the CMakeLists.

For example, download the source tarball and use. These are written to the cmake cache, kept in CMakeCache. You can edit this file by hand, but this is not recommended because you could make a mistake. You should not attempt to move or copy this file to do another build, because file paths are hard-coded within it.

If you mess things up, just delete this file and start again with cmake. If there is a serious problem detected at this stage, then you will see a fatal error and some suggestions for how to overcome it. If you are not sure how to deal with that, please start by searching on the web most computer problems already have known solutions! There are also informational warnings that you might like to take on board or not. Piping the output of cmake through less or tee can be useful, too. Once cmake returns, you can see all the settings that were chosen and information about them by using e.

You can actually use ccmake available on most Unix platforms directly in the first step, but then most of the status messages will merely blink in the lower part of the terminal rather than be written to standard output.

Most platforms including Linux, Windows, and Mac OS X even have native graphical user interfaces for cmake , and it can create project files for almost any build environment you want including Visual Studio or Xcode. Check out running CMake for general advice on what you are seeing and how to navigate and change things. The settings you might normally want to change are already presented. You may make changes, then re-configure using c , so that it gets a chance to make changes that depend on yours and perform more checking.

It may take several configuration passes to reach the desired configuration, in particular if you need to resolve errors. When you have reached the desired configuration with ccmake , the build system can be generated by pressing g.

This requires that the previous configuration pass did not reveal any additional settings if it did, you need to configure once more with c.

With cmake , the build system is generated after each pass that does not produce errors. You cannot attempt to change compilers after the initial run of cmake. If you need to change, clean up, and start again. It may not be the source directory or the build directory.

You require write permissions to this directory. Even if you do have super-user privileges, you should use them only for the installation phase, and never for configuring, building, or running GROMACS!

If so, you can speed things up by invoking cmake and passing the various options at once on the command line. Note that some environment variables are also taken into account, in particular variables like CC and CXX.

You can even save that in a shell script to make it even easier next time. You can also do this kind of thing with ccmake , but you should avoid this, because the options set with -D will not be able to be changed interactively in that run of ccmake.

The build system will also check that the compiler and linker used also support the selected SIMD instruction set and issue a fatal error if they do not. Failed to load latest commit information. Aug 30, Dec 14, ILP support. Sep 27, Jun 28, Sep 15, Nov 12, Sep 6, No auto-update conda. Jul 15, Adjusting gitignore. The order code for the book is SE Contact SIAM for additional information. If this is not the case, you can download a Fortran77 reference implementation of the BLAS from netlib.

We provide pre-compiled libraries, and various builds like Visual Studio build, nmake by using cmake. All driver and computational routines have names of the form XYYZZZ, where for some driver routines the 6th character is blank.

The next two letters , YY, indicate the type of matrix or of the most significant matrix. Most of these two-letter codes apply to both real and complex matrices; a few apply specifically to one or the other. The last three letters , ZZZ, indicate the computation performed. These indexes contain brief descriptions of each routine. LAPACK routines are available in four types: single precision real, double precision real, single precision complex, and double precision complex.

About your question on the eigenvalue problem of a pair of complex symmetric matrices, there is no public domain software I know of for solving this problem directly.

Three closest references are: in QMRpack your can access it from www. Back to few years ago, J. Cullum and … published a paper on using QR iteration to find all eigenvalues and eigenvectors of a complex symmtric tridiagonal matrix. Matrix Analysis and Applications. He discussed how to use a variant of Householder reduction for tridiagonalization. All these approaches try to explore the symmetric structure for saving in CPU time and storage. However, since there is no particular mathematical properties we can explore in a complex symmetric system, all above mentioned approaches are potentially numerical unstable!

This also reflects why there is no high quality black-box math. However, the routines are contained in the respective directories on netlib. If you download a routine with dependencies, these auxiliary routines should be included with your request. Or, if for some reason you wish to obtain an individual auxiliary routine, and you already know the name of the routine, you can request that routine.

For example, if I would like to obtain dlacpy. Please tell us the type of machine on which the tests were run, the compiler and compiler options that were used, details of the BLAS library that was used, and a copy of the input file if appropriate. Have you checked the errata list on netlib? Click on "Machine-Specific Installation Hints". The only known testing failures are in condition number estimation routines in the generalized nonsymmetric eigenproblem testing. Since version 2.

However, every other algorithm still use only sequential library. However, if present, hwloc will help with mapping of the software to the hardware resources. However, hwloc is included in many Linux distributions and can be easily installed using standard package management tools, e. If not already present, pkg-config can be installed in the same way, e. The installer provides the following set of command line options default settings are given in square brackets :.

The installer can also be used without the wget command or access to a network connection.