New Intel compilers (Intel OneAPI Base and HPC Toolkits)
The newest versions of the Intel compilers, available under the name Intel OneAPI, do no longer require a license, they are freely available. The 2023.2 version has been installed on C&CZ managed Ubuntu systems. When they are available, the module command
module avail
will list among others “compiler/latest”, so e.g. the Intel C (icc) and Fortran (ifort) compilers can be used after typing
module add compiler/latest
Old Intel compilers (2019u5 / 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-2019u5/composerxe/bin/compilervars.sh intel64
and CSH users must run:
setenv arch intel64
source /vol/opt/intelcompilers/intel-2019u5/composerxe/bin/compilervars.csh intel64
After that, icc -V
returns the version number as output. For older
versions, substitute “2019u5” with “2019u4”, “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)
- Intel Fortran Composer XE 2011 Getting Started Tutorials
- Intel Fortran Compiler XE 12.0 User and Reference Guides
Math Kernel Library (mkl, linking blas, lapack)
Intel Cluster Studio 2011
- Intel Cluster Studio 2011 for Linux* OS - index to all local documentation
- Intel® MPI Library for Linux OS Documentation Index
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