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* <code>module avail</code> lists the installed modules, relevant are:
* <code>module avail</code> lists the installed modules, relevant are:
** compiler/latest → <code>ifort</code>, <code>icpc</code>, <code>icc</code>, ...
** compiler/latest → <code>icx</code>, <code>icpx</code>, <code>ifx</code>, ... (the [https://www.intel.com/content/www/us/en/developer/articles/guide/porting-guide-for-icc-users-to-dpcpp-or-icx.html new Intel compilers])
** mpi/latest → <code>mpirun</code>, <code>mpiifort</code>, <code>mpiicpc</code>, <code>mpiicc</code>, ...
** icc/latest → <code>icc</code>, <code>icpc</code> (the [https://community.intel.com/t5/Intel-oneAPI-DPC-C-Compiler/DEPRECATION-NOTICE-Intel-C-Compiler-Classic/m-p/1506693 deprecated C/C++ compilers])
** ifort/latest → <code>ifort</code> (the [https://community.intel.com/t5/Blogs/Tech-Innovation/Tools/A-Historic-Moment-for-The-Intel-Fortran-Compiler-Classic-ifort/post/1614625 deprecated Fortran compiler])
** mpi/latest → <code>mpirun</code>, <code>mpiicx</code>, <code>mpiicpx</code>, <code>mpiifx</code>,  <code>mpiicc</code>, <code>mpiicpc</code>, <code>mpiifort</code>, ...
** mkl/latest
** mkl/latest
* <code>module load</code> ... loads a module.
* <code>module load</code> ... loads a module.


Inside a shell script (bash), you have to do <code>shopt -s expand_aliases</code> before being able to use the <code>module</code> command.
Inside a shell script (bash), you have to do <code>shopt -s expand_aliases</code> in order to be able to use the <code>module</code> command.


== Pitfalls ==
== Pitfalls ==

Version vom 14. Dezember 2024, 23:24 Uhr

New Opterox-Login

Server is zeon.physik.uni-due.de, home directories are the same.

Queueing system = Slurm

  • sinfo shows overall load and available queues (partitions). The default one is marked with *.
  • squeue shows running jobs.
  • simplest submission: sbatch -nn script-name
  • scancel job-id kills job.

Intel oneAPI

Intel compilers, MKL and MPI are installed, must be selected via the module system:

module use /opt/intel/oneapi/modulefiles (unless you include that directory in your MODULEPATH)

Inside a shell script (bash), you have to do shopt -s expand_aliases in order to be able to use the module command.

Pitfalls

  • ifort/mpiifort: When compiling with -i8, you also have to link with -i8 (cf. also manual).

OpenMPI

  • The setting export OMPI_MCA_pml=ucx is necessary to prevent a "failed OFI Libfabric library call".