Differences

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--- build:reqpkgs [2020/08/10 12:15] – [NetCDF / NetCDF_Fortran / HDF5] Xavier Gonze
+++ build:reqpkgs [2020/08/10 20:31] – [Fast Fourier Transforms] Xavier Gonze
@@ Line 1: / Line 1: @@
-===== Required Packages =====
+====== Required Packages ======
 The following packages are either mandatory dependencies or strongly recommended external libraries, without which some important functionalities of abinit will not function
-==== Linear Algebra ====
+===== Linear Algebra =====
 Abinit will work only if linear algebra libraries are present on the computer. Only 2 linear algebra components are mandatory:
@@ Line 19: / Line 19: @@
 On many high performance computers, you will have access to optimized libraries (mkl, ESSL, ACML, OpenBLAS,...) - use these at all costs\\ They will speed up abinit runs by up to an order of magnitude: more than 60% of computation time is spent in these external libraries.
-==== Fast Fourier Transforms ====
+===== Fast Fourier Transforms =====
 Abinit has an internal FFT library made by Stefan Goedecker in the 1990s, which he then cleverly parallelized in the 2000s.\\ This is the default, but not the fastest FFT library abinit has access to. You want to link to external recent optimized versions.
@@ Line 25: / Line 25: @@
 The main library in wide use today is the FFTW3 which is very powerful, threaded, and optimized to death.
-The vendor optimized mkl, ESSL and other libraries often provide versions of FFTW3 - use these as a priority
+The vendor optimized mkl and other libraries often provide versions of FFTW3 - use these as a priority
 There exist other FFT libraries on the market, but abinit does not support them systematically.\\ Check the options of the configure script for more details.