Difference between revisions of "Intel compilers"

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C&CZ heeft samen met TCM en Theoretische Chemie twee licenties voor gelijktijdig gebruik van de [https://software.intel.com/en-us/parallel-studio-xe Intel Parallel Studio XE voor Linux] aangeschaft. Verschillende versies zijn ge&iuml;nstalleerd in <tt>/vol/opt/intelcompilers</tt> en beschikbaar op o.a. [http://wiki.science.ru.nl/cncz/index.php?title=Hardware_servers&setlang=nl#.5BReken-.5D.5BCompute_.5Dservers.2Fcluster clusternodes] en [http://wiki.science.ru.nl/cncz/index.php?title=Hardware_servers&setlang=nl#Login-servers loginservers]. Om de omgevingsvariabelen goed te zetten, moeten SH/BASH-gebruikers vooraf uitvoeren:
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C&CZ heeft samen met TCM en Theoretische Chemie twee licenties voor gelijktijdig gebruik van de [https://software.intel.com/en-us/parallel-studio-xe Intel Parallel Studio XE voor Linux] aangeschaft. Verschillende versies zijn ge&iuml;nstalleerd in <tt>/vol/opt/intelcompilers</tt> en beschikbaar op o.a. [http://wiki.science.ru.nl/cncz/index.php?title=Hardware_servers&setlang=nl#.5BReken-.5D.5BCompute_.5Dservers.2Fcluster clusternodes] en [http://wiki.science.ru.nl/cncz/index.php?title=Hardware_servers&setlang=nl#Login-servers loginservers]. Om de omgevingsvariabelen goed te zetten, moeten SH/BASH-gebruikers vooraf uitvoeren voor de nieuwste versie:
 
<pre>
 
<pre>
source /vol/opt/intelcompilers/intel-2019/composerxe/bin/compilervars.sh intel64
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source /vol/opt/intelcompilers/intel-2019u4/composerxe/bin/compilervars.sh intel64
 
</pre>
 
</pre>
 
en CSH-gebruikers:
 
en CSH-gebruikers:
 
<pre>
 
<pre>
 
setenv arch intel64
 
setenv arch intel64
source /vol/opt/intelcompilers/intel-2019/composerxe/bin/compilervars.csh intel64
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source /vol/opt/intelcompilers/intel-2019u4/composerxe/bin/compilervars.csh intel64
 
</pre>
 
</pre>
Daarna levert <tt>icc -V</tt> het versienummer.
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Daarna levert <tt>icc -V</tt> het versienummer. Voor de oudere versies moet "2019u4" veranderd worden in "2019" resp. "2014".
 
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<br>
Een handige resource is [https://software.intel.com/en-us/articles/intel-mkl-link-line-advisor/ intel-mkl-link-line-advisor] waarmee je compiling en linking opties kunt opvragen voor het gebruik van de MKL.
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Een erg handige resource is [https://software.intel.com/en-us/articles/intel-mkl-link-line-advisor/ intel-mkl-link-line-advisor] waarmee je compiler- en linker-opties kunt opvragen voor het gebruik van de MKL.
 
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[en]
 
C&CZ has bought together with TCM and Theoretical Chemistry two licences for concurrent use of the [https://software.intel.com/en-us/parallel-studio-xe Intel Parallel Studio XE for Linux]. Different versions have been installed in <tt>/vol/opt/intelcompilers</tt> and is available on a.o. [http://wiki.science.ru.nl/cncz/index.php?title=Hardware_servers&setlang=en#.5BReken-.5D.5BCompute_.5Dservers.2Fcluster clusternodes] en [http://wiki.science.ru.nl/cncz/index.php?title=Hardware_servers&setlang=en#Login-servers loginservers]. To set the environment variables correctly, SH/BASH users must first run:
 
C&CZ has bought together with TCM and Theoretical Chemistry two licences for concurrent use of the [https://software.intel.com/en-us/parallel-studio-xe Intel Parallel Studio XE for Linux]. Different versions have been installed in <tt>/vol/opt/intelcompilers</tt> and is available on a.o. [http://wiki.science.ru.nl/cncz/index.php?title=Hardware_servers&setlang=en#.5BReken-.5D.5BCompute_.5Dservers.2Fcluster clusternodes] en [http://wiki.science.ru.nl/cncz/index.php?title=Hardware_servers&setlang=en#Login-servers loginservers]. To set the environment variables correctly, SH/BASH users must first run:
 
<pre>
 
<pre>
source /vol/opt/intelcompilers/intel-2019/composerxe/bin/compilervars.sh intel64
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source /vol/opt/intelcompilers/intel-2019u4/composerxe/bin/compilervars.sh intel64
 
</pre>
 
</pre>
 
and CSH users must run:
 
and CSH users must run:
 
<pre>
 
<pre>
 
setenv arch intel64
 
setenv arch intel64
source /vol/opt/intelcompilers/intel-2019/composerxe/bin/compilervars.csh intel64
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source /vol/opt/intelcompilers/intel-2019u4/composerxe/bin/compilervars.csh intel64
 
</pre>
 
</pre>
After that, <tt>icc -V</tt> gives the new version number as output: Version 19.0.1.144 Build 20181018. The 2014 version had: Version 14.0.2.144 Build 20140120
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After that, <tt>icc -V</tt> returns the version number as output. For older versions, substitute "2019u4" with "2019" or "2014".  
 
<br>
 
<br>
 
A very useful resource is  [https://software.intel.com/en-us/articles/intel-mkl-link-line-advisor/ intel-mkl-link-line-advisor] which will advise you on compiler and linker options for using the MKL.
 
A very useful resource is  [https://software.intel.com/en-us/articles/intel-mkl-link-line-advisor/ intel-mkl-link-line-advisor] which will advise you on compiler and linker options for using the MKL.

Revision as of 14:44, 28 May 2019

Intel compilers (2019u4 / 2019 / 2014)

C&CZ has bought together with TCM and Theoretical Chemistry two licences for concurrent use of the Intel Parallel Studio XE for Linux. Different versions have been installed in /vol/opt/intelcompilers and is available on a.o. clusternodes en loginservers. To set the environment variables correctly, SH/BASH users must first run:

source /vol/opt/intelcompilers/intel-2019u4/composerxe/bin/compilervars.sh intel64

and CSH users must run:

setenv arch intel64
source /vol/opt/intelcompilers/intel-2019u4/composerxe/bin/compilervars.csh intel64

After that, icc -V returns the version number as output. For older versions, substitute "2019u4" with "2019" or "2014".
A very useful resource is intel-mkl-link-line-advisor which will advise you on compiler and linker options for using the MKL.

Documentation for the previous version (2011)

Compiling Fortran (/opt/intel/bin/ifort)

Math Kernel Library (mkl, linking blas, lapack)

Intel Cluster Studio 2011

How to create a standalone MKL version of BLAS and LAPACK shared libraries ?

This is described in detail in Building Custom Shared Objects

  • Create a new directory (e.g. ~/lib)
 mkdir ~/lib
 cd ~/lib
  • Copy these files:
 cp /opt/intel/composerxe/mkl/tools/builder/{makefile,blas_list,lapack_list} ~/lib
  • Set the MKLROOT variable (in bash):
 MKLROOT=/opt/intel/mkl
 export MKLROOT

In tcsh use:

 setenv MKLROOT /opt/intel/mkl
  • Make the shared libraries libblas_mkl.so and liblapack_mkl.so
 make libintel64 export=blas_list interface=lp64  threading=parallel name=libblas_mkl
 make libintel64 export=lapack_list interface=lp64  threading=parallel name=liblapack_mkl

The options are described here

The newly created libblas_mkl.so and liblapack_mkl.so require

 /opt/intel/lib/intel64/libiomp5.so
 

to work. On the cluster nodes this file is automatically linked when required.

Using the MKL BLAS and LAPACK shared libraries (with Scilab)

This should work for any executable that uses a dynamically linked blas or lapack. We use Scilab as an example.

  • Make sure we have an executable, not just a script that calls the executable:
 file scilab-bin

The output looks something like this:

 scilab-bin: ELF 64-bit LSB executable, x86-64, version 1 (SYSV), dynamically linked (uses shared libs), for GNU/Linux 2.6.15 ...
  • Determine the exact name that is used by the executable:
 ldd scilab-bin | grep blas

The output could be:

 libblas.so.3gf => ~/sciab-5.4.1/lib/thirdparty/libblas.so.3gf
  • Replace the library with a link to the MKL version
 cd ~/sciab-5.4.1/lib/thirdparty/
 rm libblas.so.3gf
 ln -s ~/lib/libblas_mkl.so libblas.so.3gf

Also follow this procedure for lapack.

  • To use more than one thread, i.e., for parallel computation, set:
 MKL_NUM_THREADS=4
 export MKL_NUM_THREADS

This example will use 4 cores.

  • To check the number of cores available, use:
 cat /proc/cpuinfo | grep processor | wc