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doku:recommendations [2014/06/18 08:23] – created irdoku:recommendations [Unknown date] (current) – external edit (Unknown date) 127.0.0.1
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-====== General recommendations ====== +====== Recommendations ====== 
- +
-To make sure that the MPI communication happens via the infiniband fabric, please use the following settings in your job-script and/or in your .bashrc file: +
- +
-export I_MPI_DAT_LIBRARY=/usr/lib64/libdat2.so.2 +
-export OMP_NUM_THREADS=1 +
-export I_MPI_FABRICS=shm:dapl +
-export I_MPI_FALLBACK=0 +
-export I_MPI_CPUINFO=proc +
-export I_MPI_PIN_PROCESSOR_LIST=1,14,9,6,5,10,13,2,3,12,11,4,7,8,15,0 +
-export I_MPI_JOB_FAST_STARTUP=0+
  
 ==== Recommendations for various codes ==== ==== Recommendations for various codes ====
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   * [[vasp-vsc2|VASP]]   * [[vasp-vsc2|VASP]]
   * [[antares-vsc2|ANTARES]]   * [[antares-vsc2|ANTARES]]
 +  * [[doku:glx|bug in GLX]]
   * [[wien2k-vsc2|WIEN2k]]   * [[wien2k-vsc2|WIEN2k]]
   * [[mpi-helium-vsc2|MPI-Helium]]   * [[mpi-helium-vsc2|MPI-Helium]]
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   * [[gaussian09|Gaussian09]]   * [[gaussian09|Gaussian09]]
   * [[sequential-codes|Sequential codes]]   * [[sequential-codes|Sequential codes]]
- 
  
 ==== Recommendations for advanced users ==== ==== Recommendations for advanced users ====
  • doku/recommendations.1403079798.txt.gz
  • Last modified: 2014/06/18 08:23
  • by ir