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cluster:73 [2021/10/21 19:11]
hmeij07 [Miniconda3]
cluster:73 [2021/11/03 19:54]
hmeij07 [EasyBuild]
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 \\
 +
 +====== EasyBuild ======
 +
 +EasyBuild is a software build and installation framework that allows you to manage (scientific) software on High Performance Computing (HPC) systems in an efficient way.
 +
 +  * supports 2469 different software packages (incl. toolchains, bundles)
 +  * local page with lots of details  **[[cluster:209|EasyBuild]]**
 +
 +Easybuild uses ''environment-modules'' to control the environment. Load the module of interest and all dependencies will be taken care of. See below.
 +
 +**Installed modules** and their dependencies
 +
 +  * astropy/4.2.1-fosscuda-2020b
 +  * emcee/2.2.1-foss-2019a
 +
 +To use module, discover the modules and load desired module. On ''greentail52'' (debugging) or in submit scripts on queues: amber128, mwgpu, exx96 (centos7 required)
 +
 +<code>
 +
 +# discover all modules
 +module use /sanscratch/CENTOS7/easybuild/4.4.2/modules/all
 +
 +# view availability
 +module avail
 +
 +# load
 +module load module_name
 +
 +# list modules loaded
 +module list
 +
 +# check, start app, import package (astropy or emcee)
 +# note that these modules use different python versions
 +which python
 +
 +</code>
  
 ====== Hoomd ====== ====== Hoomd ======
Line 546: Line 582:
  
   * Production version is installed in /share/apps/CENTOS7/intel/openapi (via **n78**)   * Production version is installed in /share/apps/CENTOS7/intel/openapi (via **n78**)
-  * source /share/apps/CENTOS/intel/oneapi/setvars.sh+  * source /share/apps/CENTOS7/intel/oneapi/setvars.sh
  
 <code> <code>
Line 568: Line 604:
 </code> </code>
  
-  * Test version is installed on local disk on host **greentail52**+  * __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]]
cluster/73.txt ยท Last modified: 2024/05/15 12:58 by hmeij07