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Please read the README file of this directory. Also for this suite of tests is activated with. Make tests_cpu Unlike in the previous case, many directories will be created (more than 10 in the present version). Their name begins with the test name (A1, A2, A3, A4, B1, B2, B3, B4, C3, D3), and is followed by the machine name and the date.
*** This release of ABINIT is a production version *** The v8.4.1 was incomplete, the directory tests/bigdft_paral was missing. This has been fixed in ABINITv8.4.2. For most Unix systems, you must download and compile the source code. The same source code archive can also be used to build the Windows and Mac versions, and is the starting point for ports to all other platforms.
Brew install homebrew/science/abinit ABINIT should install smoothly with its dependencies. Note: • At the first installation, this can take time, because of the required compilation of some dependencies (netcdf, fftw ). • LibXC, ETSF_IO and netCDF fallbacks (plugins) are used by default.
How to make the executables? (=How to compile the executables?) We now suppose that you have a F90 compiler and you want to compile the source files. In most cases, you will have to provide to the ‘make’ utility some information: the location of the F90 compiler (and sometimes even the C compiler) on your machine, the adequate compiler options, and, if you want to produce the parallel binaries, the location of the MPI library on your machine. Although the presently implemented building tools should be powerful enough to succeed to make the binaries without you giving such information, it has been seen that on a significant number of platforms, it is still better to give them. Indeed, you might generate a clearly suboptimal executable, executing slowly, or with downgraded capabilities. Supposing that you are in the lucky case where the build system is able to find all the information, then the build of ABINIT is very simple.
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On the other hand, if you need to play with several computers, you can place the hostname.ac file directory in the ~abinit directory, where such a hostname.ac file will be also seen by the build system (and preferred over the one located in ~/.abinit/build/) or in your build directory (like ~abinit/tmp/). As mentioned above, you might even type at the terminal the definitions contained in the hostname.ac file. Status file, reporting on built-in test fast ==> The run finished cleanly. Moreover, comparison of the total energy, and other (few) relevant quantities with reference values has been successful. This does not mean that no problem is present, however. Please run the complete set of ABINIT tests to gain a better confidence in your installation. This means that the internal test “fast” ran successfully.
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If you have issued./configure in another directory, it will be placed accordingly. The ‘make’ command can also be used in many different ways, by mentioning one or more targets. A (partial) list of targets for users can be obtained by typing. Make install will install abinit in the /usr/local directory. In case you want to go further, please consult files in ~abinit/doc/build.
Make install will install abinit in the /usr/local directory. In case you want to go further, please consult files in ~abinit/doc/build. Let’s come back to the case where the build system needs some more information. This information should be stored in a file named hostname.ac, where “hostname” is the result of executing the command hostname on your machine, e.g. Abiref.pcpm.ucl.ac.be or my_machine, and taking the first word of the returned chain of character, e.g. Abiref or my_machine There is a template for such a file, located in ~abinit/doc/config/. Its name is config-template.ac.
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