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software:cp2k [2012/10/25 15:12]
schlarbm created
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-====== CP2K ====== 
-Currently, there are //only two// builds of CP2K available from two release branches. 
-Both are built with GCC 4.7.0, Intel MPI and ACML 5.1.0. 
-The following modulefiles will need to be used: 
-<code bash> 
-$ module add gcc/4.7.0 mpi/intelmpi/ acml/5.1.0/gfortran/gfortran64_fma4 
-CP2K consists of a single executable which is installed to: 
-<code bash> 
-$ /clusterwork/Apps/cp2k/<VERSION>/gfortran_4.7.0_intelmpi_4_acml_5.1.0/cp2k.popt 
-where ''<VERSION>'' is currently one of ''2.2'' or ''2.3''. 
  • software/cp2k.1351170767.txt.gz
  • Last modified: 2012/10/25 15:12
  • by schlarbm