build:minreq
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build:minreq [2017/05/25 10:09] – [External dependencies] Matthieu Verstraete | build:minreq [2020/08/10 20:26] – [GPU] Xavier Gonze | ||
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====== Minimum Requirements ====== | ====== Minimum Requirements ====== | ||
- | ===== Minimum requirements | + | ===== Hardware |
- | + | ||
- | ==== Hardware | + | |
Abinit requires at least 1 CPU, 4Gb of RAM and 4Gb of disk space to perform the calculations of the tutorials and the test suite. The most complex calculations may require more than 10,000 CPUs, more than 1Tb of RAM, and a few Tb of disk space. | Abinit requires at least 1 CPU, 4Gb of RAM and 4Gb of disk space to perform the calculations of the tutorials and the test suite. The most complex calculations may require more than 10,000 CPUs, more than 1Tb of RAM, and a few Tb of disk space. | ||
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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, we also support | |
- | ==== Libraries ==== | + | |
- | + | ||
- | Abinit will work only if linear algebra libraries are present on the computer. Only 2 linear algebra components are mandatory: | + | |
- | * [[http://www.netlib.org/blas/|Basic Linear Algebra Subprograms (BLAS)]] | + | |
- | * [[http:// | + | |
- | + | ||
- | Even if you are free to install | + | |
- | + | ||
- | If you are using Linux, the best way to install linear algebra libraries is to use the package manager of your distribution to get some of them and/or install the [[https:// | + | |
- | + | ||
- | For MacOS X, many libraries can be installed using [[https:// | + | |
- | + | ||
- | The University of Tennessee has also some useful information on [[https:// | + | |
===== Parallelism ===== | ===== Parallelism ===== | ||
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==== MPI ==== | ==== MPI ==== | ||
+ | [[wp> | ||
- | ==== GPU ==== | ||
- | |||
- | ===== Enhanced components ===== | ||
- | |||
- | ==== Linear algebra ==== | ||
- | |||
- | ==== FFT ==== | ||
build/minreq.txt · Last modified: 2020/08/10 20:26 by Xavier Gonze