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cluster:73 [2021/03/11 19:40]
hmeij07 [OneAPI]
cluster:73 [2021/04/12 19:17]
hmeij07 [LAMMPS CPU/GPU]
Line 18: Line 18:
 on either cottontail2 or node n33 located at /share/apps/CENTOS6 \\ on either cottontail2 or node n33 located at /share/apps/CENTOS6 \\
 Some compilations require 7.x and are in /share/apps/CENTOS7 \\ Some compilations require 7.x and are in /share/apps/CENTOS7 \\
 +
 +====== OpenHPC ======
 +
 +So I remember where I put the repos ''/share/apps/src/greentail52/openhpc''
 +
 +  * whitetail tar ball for centos7/warewulf (no slurm)
 +  * http://repos.openhpc.community/OpenHPC/2.0RC1/CentOS_8/x86_64/
 +  * http://repos.openhpc.community/ohpc-1.3/1.3.9/base/CentOS_7/x86_64/
 +  * https://github.com/warewulf/warewulf3 (master git zip file)
  
 ====== OneAPI ====== ====== OneAPI ======
Line 23: Line 32:
   * Requires CentOS 7 so queues mwgpu, amber128, exx96   * Requires CentOS 7 so queues mwgpu, amber128, exx96
  
-  * Production version is installed in /share/apps/CENTOS7/intel/openapi+  * Production version is installed in /share/apps/CENTOS7/intel/openapi (via **n78**)
   * source /share/apps/CENTOS/intel/oneapi/setvars.sh   * source /share/apps/CENTOS/intel/oneapi/setvars.sh
  
-  * Test version is installed on local disk on host greentail52+<code> 
 +# which icc icx icpc icpx dpcpp ifort ifx mpirun mpicc python clang clang++ 
 +/share/apps/CENTOS7/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/icc 
 +/share/apps/CENTOS7/intel/oneapi/compiler/2021.1.1/linux/bin/icx 
 +/share/apps/CENTOS7/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/icpc 
 +/share/apps/CENTOS7/intel/oneapi/compiler/2021.1.1/linux/bin/icpx 
 +/share/apps/CENTOS7/intel/oneapi/compiler/2021.1.1/linux/bin/dpcpp 
 +/share/apps/CENTOS7/intel/oneapi/compiler/2021.1.1/linux/bin/intel64/ifort 
 +/share/apps/CENTOS7/intel/oneapi/compiler/2021.1.1/linux/bin/ifx 
 +/share/apps/CENTOS7/intel/oneapi/intelpython/latest/bin/mpirun 
 +/share/apps/CENTOS7/intel/oneapi/mpi/2021.1.1/bin/mpicc 
 +/share/apps/CENTOS7/intel/oneapi/intelpython/latest/bin/python 
 +/share/apps/CENTOS7/intel/oneapi/compiler/2021.1.1/linux/bin/clang 
 +/share/apps/CENTOS7/intel/oneapi/compiler/2021.1.1/linux/bin/clang++ 
 +# in addition these were installed 
 +/share/apps/CENTOS7/intel/oneapi/mkl/2021.1.1 
 +/share/apps/CENTOS7/intel/oneapi/pytorch/1.5.0 
 +/share/apps/CENTOS7/intel/oneapi/tensorflow/2.2.0 
 +</code> 
 + 
 +  * Test version is installed on local disk on host **greentail52**
   * source /opt/intel/oneapi/setvars.sh   * source /opt/intel/oneapi/setvars.sh
   * Read [[cluster:203|ICC vs ICX]]   * Read [[cluster:203|ICC vs ICX]]
Line 1307: Line 1336:
  
 ====== LAMMPS CPU/GPU ====== ====== LAMMPS CPU/GPU ======
 +
 +** USER_QUIP **
 +
 +This is a version of lammps (29Oct20, last stable) that contains all packages with user-quip.
 +
 +It does not compile with MPI, nor ifort in CentOS7, so there is only a "serial" version.
 +
 +  * Requires CentOS 7 so queues: mwgpu, amber128, exx96
 +
 +Read, if you wish  
 +
 +  * /share/apps/CENTOS7/lammps/QUIP-public.install 
 +  * /share/apps/CENTOS7/lammps/29Oct2020.install 
 +
 +Environments
 +
 +<code>
 +
 +# serial - cpu only (although quippy compiled, it refused to install)
 +
 +export PATH=/share/apps/CENTOS7/python/3.8.3/bin:$PATH
 +export LD_LIBRARY_PATH=/share/apps/CENTOS7/python/3.8.3/lib:$LD_LIBRARY_PATH
 +
 +# serial - cpu+gpu
 +
 +(to come, hopefully)
 +
 +</code>
  
 ** CPU only ** -Centos6 ** CPU only ** -Centos6
Line 3022: Line 3079:
 ===== Intel  ===== ===== Intel  =====
  
-UPDATE, 2016 parallel studio cluster edition installed+UPDATE 2021 
 +latest version of icc/icx and ifort/ifx are inside OneAPIsearch this page 
 + 
 +UPDATE 2016  
 +parallel studio cluster edition installed
  
   * 2 ifort and 2 icc float licenses   * 2 ifort and 2 icc float licenses
Line 3050: Line 3111:
  
 ====== Cluster Math Kernel Libraries ====== ====== Cluster Math Kernel Libraries ======
 +
 +  * latest version in OneAPI, search this page
  
   * see Intel parallel studio   * see Intel parallel studio
Line 3059: Line 3122:
  
 ====== Intel Threading Building Blocks ====== ====== Intel Threading Building Blocks ======
 +
 +  * latest version is in OneAPI, search this pages
  
   * see Intel parallel studio   * see Intel parallel studio
cluster/73.txt · Last modified: 2024/05/15 12:58 by hmeij07