build:minreq
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build:minreq [2020/08/05 16:12] – [GPU] Jean-Michel Beuken | build:minreq [2020/08/10 20:26] (current) – [Parallelism] Xavier Gonze | ||
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Any recent desktop or laptop computer is in principle able to perform calculations with Abinit. | Any recent desktop or laptop computer is in principle able to perform calculations with Abinit. | ||
- | ===== Compilers | + | ===== Tools ===== |
- | To be correctly built, Abinit requires a working development environment providing both a C and a Fortran compiler. | + | To be correctly built, Abinit requires a working development environment providing both a C and a Fortran compiler, |
+ | as well as Python (version 2.7.5 at least, but version 3.8 is recommended). | ||
On desktop and laptop computers, we recommend: | On desktop and laptop computers, we recommend: | ||
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which we have extensively tested. | which we have extensively tested. | ||
- | Since the choice is up to the system administrator on HPC environments, | + | Since the choice is up to the system administrator on HPC environments, |
+ | /* Since the choice is up to the system administrator on HPC environments, | ||
- | ===== Parallelism ===== | ||
- | ==== OpenMP and multithreading ==== | ||
- | If your computer has multiple cores, you might want to take benefit from all of them instead of running Abinit in serial mode. There are 2 ways of achieving it: [[wp> | ||
- | Various parts of Abinit have been optimized to work with OpenMP. In addition, the latter is usually directly provided by compilers and does not require the installation of additional libraries. The build system of Abinit is able to set the corresponding compile flags automatically for a dozen popular compilers if you ask for OpenMP at configure time. Should this not be the case for you, please consult the documentation of your compilers and contact us once you have found and successfully tried the flags to provide. | ||
- | Abinit does not provide support for multithreading but can benefit from multithreaded versions of its external dependencies, | ||
- | |||
- | ==== MPI ==== | ||
- | [[wp> | ||
- | |||
- | ==== GPU ==== | ||
- | [[wp> |
build/minreq.1596636733.txt.gz · Last modified: 2020/08/05 16:12 by Jean-Michel Beuken