ELPA 2021. Regenerated documentation (PDF).

config/elpa/README.md

@@ -2,17 +2,17 @@
 
 ## Build Instructions
 
-### ELPA 2020
+### ELPA 2021
 
 [Download](https://elpa.mpcdf.mpg.de/software/tarball-archive/ELPA_TARBALL_ARCHIVE.html) and unpack ELPA and make the configure wrapper scripts available in ELPA's root folder. Consider CP2K's download area (cache) as an [alternative source](https://www.cp2k.org/static/downloads) for downloading ELPA.
 
 **Note**: Please use [ELPA 2017.11.001](#elpa-2017) for CP2K 6.1.
 
 ```bash
-echo "wget --no-check-certificate https://elpa.mpcdf.mpg.de/software/tarball-archive/Releases/2020.11.001/elpa-2020.11.001.tar.gz"
-wget --no-check-certificate https://www.cp2k.org/static/downloads/elpa-2020.11.001.tar.gz
-tar xvf elpa-2020.11.001.tar.gz
-cd elpa-2020.11.001
+echo "wget --no-check-certificate https://www.cp2k.org/static/downloads/elpa-2021.05.001.tar.gz"
+wget --no-check-certificate https://elpa.mpcdf.mpg.de/software/tarball-archive/Releases/2021.05.002/elpa-2021.05.002.tar.gz
+tar xvf 2021.05.002.tar.gz
+cd elpa-2021.05.002
 
 wget --no-check-certificate https://github.com/hfp/xconfigure/raw/master/configure-get.sh
 chmod +x configure-get.sh
@@ -40,7 +40,7 @@ make -j ; make install
 Even if ELPA was just unpacked (and never built before), `make clean` is recommended in advance of building ELPA ("unknown module file format"). After building and installing the desired configuration(s), one may have a look at the installation:
 
 ```bash
-[user@system elpa-2020.11.001]$ ls ../elpa
+[user@system elpa-2021.05.002]$ ls ../elpa
  intel-skx
  intel-skx-omp
 ```
@@ -53,6 +53,49 @@ For different targets (instruction set extensions) or for different versions of
 
 As shown above, an arbitrary "tagname" can be given (without editing the script). This might be used to build multiple variants of the ELPA library.
 
+### ELPA 2020
+
+[Download](https://elpa.mpcdf.mpg.de/software/tarball-archive/ELPA_TARBALL_ARCHIVE.html) and unpack ELPA and make the configure wrapper scripts available in ELPA's root folder. Consider CP2K's download area (cache) as an [alternative source](https://www.cp2k.org/static/downloads) for downloading ELPA.
+
+**Note**: Please use [ELPA 2017.11.001](#elpa-2017) for CP2K 6.1.
+
+```bash
+echo "wget --no-check-certificate https://elpa.mpcdf.mpg.de/software/tarball-archive/Releases/2020.11.001/elpa-2020.11.001.tar.gz"
+wget --no-check-certificate https://www.cp2k.org/static/downloads/elpa-2020.11.001.tar.gz
+tar xvf elpa-2020.11.001.tar.gz
+cd elpa-2020.11.001
+
+wget --no-check-certificate https://github.com/hfp/xconfigure/raw/master/configure-get.sh
+chmod +x configure-get.sh
+./configure-get.sh elpa
+```
+
+Please make the Intel Compiler and Intel MKL available on the command line. This depends on the environment. For instance, many HPC centers rely on `module load`.
+
+```bash
+source /opt/intel/compilers_and_libraries_2020.4.304/linux/bin/compilervars.sh intel64
+```
+
+For example, to configure and make for an Intel Xeon Scalable processor ("SKX"):
+
+```bash
+make clean
+./configure-elpa-skx-omp.sh
+make -j ; make install
+
+make clean
+./configure-elpa-skx.sh
+make -j ; make install
+```
+
+Even if ELPA was just unpacked (and never built before), `make clean` is recommended in advance of building ELPA ("unknown module file format"). After building and installing the desired configuration(s), one may have a look at the installation:
+
+```bash
+[user@system elpa-2020.11.001]$ ls ../elpa
+ intel-skx
+ intel-skx-omp
+```
+
 ### ELPA 2019
 
 [Download](https://elpa.mpcdf.mpg.de/software/tarball-archive/ELPA_TARBALL_ARCHIVE.html) and unpack ELPA and make the configure wrapper scripts available in ELPA's root folder.
@@ -95,14 +138,6 @@ Even if ELPA was just unpacked (and never built before), `make clean` is recomme
  intel-skx-omp
 ```
 
-For different targets (instruction set extensions) or for different versions of the Intel Compiler, the configure scripts support an additional argument ("default" is the default tagname):
-
-```bash
-./configure-elpa-skx-omp.sh tagname
-```
-
-As shown above, an arbitrary "tagname" can be given (without editing the script). This might be used to build multiple variants of the ELPA library.
-
 ### ELPA 2018
 
 Please use [ELPA 2017.11.001](#elpa-2017) for CP2K 6.1. For CP2K 7.1, please rely on [ELPA 2019](#elpa-2019). ELPA 2018 **fails or crashes in several regression tests** in CP2K (certain rank-counts produce an incorrect decomposition), and hence ELPA 2018 should be avoided in production.