Korzystanie z modułów: Różnice pomiędzy wersjami
Przejdź do nawigacji
Przejdź do wyszukiwania
Teresa Sas (dyskusja | edycje) |
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| Linia 9: | Linia 9: | ||
*'''module avail''' - listuje dostępne moduły, polecana metoda do sprawdzenia zasobów oprogramowania | *'''module avail''' - listuje dostępne moduły, polecana metoda do sprawdzenia zasobów oprogramowania | ||
<pre> ---------- /usr/local/Modules ---------- | <pre> ---------- /usr/local/Modules ---------- | ||
| − | + | -------------------------------------------------------------------------------------- /usr/local/Modules --------------------------------------------------------------------------------------- | |
| − | + | abaqus/2017 mkl/10.3 plgrid/apps/r/3.5.3-intel15.0 | |
| − | + | abaqus/6.14-2(default) mkl/13.1 plgrid/apps/raspa/2.0-gcc6.2.0 | |
| − | + | abinit/7.10.4-intel13.1 mkl/15.0(default) plgrid/apps/siesta/3.2-intel16.0 | |
| − | + | abinit/8.0.7-intel15.0 mode/7.12.1731(default) plgrid/apps/siesta/4.0.2-intel16.0 | |
| − | + | abinit/8.10.2-intel16.0.3 mode/7.5.387 plgrid/apps/siesta/4.0-intel16.0 | |
| − | + | abinit/8.2 | |
* '''module load [nazwa_modułu]''' - ładuje moduł [nazwa_modułu] | * '''module load [nazwa_modułu]''' - ładuje moduł [nazwa_modułu] | ||
Wersja z 09:25, 5 wrz 2019
< Podręcznik użytkownika KDM < Korzystanie z modułów
Moduły
Moduł - moduły pozwalają na łatwą i szybką konfigurację środowiska sesji użytkownika. Każda wersja zainstalowanych na klastrze programów lub bibliotek produkcyjnych posiada własny moduł w formacie nazwa_aplikacji/wersja, np.gaussian/g09.E.01 . Moduły dodają odpowiednie zmienne środowiskowe lub podmieniają ich wartości. Do zmiennych środowiskowych należą standardowe w Linux-ach zmienne PATH oraz LD_LIBRARY_PATH, lecz także te, które są wyjątkowe dla aplikacji działających na klastrze.
| ! | Z mechanizmu należy korzystać na węzłach roboczych - w zadaniach (czy to wsadowych czy interaktywnych). |
Polecenie:
- module avail - listuje dostępne moduły, polecana metoda do sprawdzenia zasobów oprogramowania
---------- /usr/local/Modules ---------- -------------------------------------------------------------------------------------- /usr/local/Modules --------------------------------------------------------------------------------------- abaqus/2017 mkl/10.3 plgrid/apps/r/3.5.3-intel15.0 abaqus/6.14-2(default) mkl/13.1 plgrid/apps/raspa/2.0-gcc6.2.0 abinit/7.10.4-intel13.1 mkl/15.0(default) plgrid/apps/siesta/3.2-intel16.0 abinit/8.0.7-intel15.0 mode/7.12.1731(default) plgrid/apps/siesta/4.0.2-intel16.0 abinit/8.10.2-intel16.0.3 mode/7.5.387 plgrid/apps/siesta/4.0-intel16.0 abinit/8.2.2-intel15.0 mode/7.7.758 plgrid/apps/turbomole/5.10 abinit/8.4.4-intel16.0(default) molcas/7.9-gcc4.7.4(default) plgrid/apps/turbomole/6.3 abinit/8.8.3-intel16.0 molcas/8.0-gcc4.7.4 plgrid/apps/turbomole/6.6 adf/2014.01 molden/5.2-gcc4.9.2 plgrid/apps/turbomole/7.0 adf/2014.10 molden/5.7-gcc6.2.0(default) plgrid/apps/turbomole/7.1.1 adf/2016.108 molpro/2010.1.80-intel16.0 plgrid/apps/turbomole/7.3 adf/2017.105(default) molpro/2012.1.12-intel13.1(default) plgrid/apps/xaim/1.0 adf/2017.110.r61742.0.718 molpro/2012.1.57-intel13.1 plgrid/apps/xcrysden/1.5.60 adf/2018.104 mopac/2016 plgrid/libs/blacs/1.1 adf/2019.102 mpc/1.0.3-gcc4.9.2 plgrid/libs/blacs/1.1-intel15.0 allinea-forge/6.1.2 mpc/1.1.0-gcc7.4.0(default) plgrid/libs/boost/1.59.0-gcc4.9.2 amber/14-intel15.0(default) mpfr/3.1.3-gcc4.9.2 plgrid/libs/boost/1.62.0-gcc6.2.0 amber/tools18-gcc4.9.2 mpfr/4.0.2-gcc7.4.0(default) plgrid/libs/boost/1.68.0-gcc6.2.0 ansys/18.2 mrbayes/3.2.5-gcc5.1.0(default) plgrid/libs/fftw/2.1.5-intel15.0 ansys/19.0 mrbayes/3.2.6-gcc6.2.0 plgrid/libs/fftw/3.3.4-gcc4.7.4 argtable2/13-gcc4.9.2 mvapich2/2.1-gcc6.1.0 plgrid/libs/fftw/3.3.4-gcc4.9.2 aster/12.6.0-gcc4.9.2 mvapich2/2.1-intel15.0 plgrid/libs/fftw/3.3.4-intel15.0 atk/2.18.0-gcc4.9.2 namd/2.11-intel15.0 plgrid/libs/fftw/3.3.8-gcc7.4.0 atk-spi2/2.19.2-gcc4.9.2 namd/2.13-intel16.0(default) plgrid/libs/fftw2/2.1.5 autoconf/2.69 namd/2.7-intel15.0 plgrid/libs/fftw3/3.3.4 autodock/4.2.6(default) namd/2.9-intel15.0 plgrid/libs/fftw-mpi/3.3.4-intel15.0 autodock_vina/1.1.2(default) nbo/6.0 plgrid/libs/fftw-mpi/3.3.4-intel_mpi_15.0 avogadro/1.1.1 nbo/6.0.18a plgrid/libs/fftw-mpi/3.3.8-gcc7.4.0 bagel/2018.07.04-git nbo/6.0.18a-g16b01 plgrid/libs/gmp/6.0.0-gcc4.9.2 beagle/2.1.2-gcc5.1.0(default) nbo/6.0-g09d01 plgrid/libs/gmp/6.1.2-gcc7.4.0 beagle/3.0.2-gcc6.2.0 nbo/6.0-g09e01 plgrid/libs/gsl/2.2.1-gcc6.2.0 beast/2.5.1-with_JRE(default) nbo/6.0-orca4 plgrid/libs/lapack/3.6.0 binutils/2.25(default) nbo/current plgrid/libs/lapack/3.6.0-gcc4.9.2 binutils/2.28.1 ncarg/6.3.0-intel15.0(default) plgrid/libs/lapack/3.6.0-intel15.0 bison/3.0.4 nciplot/3.0-intel15.0 plgrid/libs/mkl/10.3 blacs/1.1 nco/4.4.8-intel15.0(default) plgrid/libs/mkl/13.1 blacs/1.1-intel15.0 nco/4.5.2-intel15.0 plgrid/libs/mkl/15.0 blas/3.6.0 nco/4.6.0-beta05-intel15.0 plgrid/libs/mpfr/3.1.3-gcc4.9.2 blas/3.6.0-intel15.0 netcdf/4.3.2-intel13.1 plgrid/libs/mpfr/4.0.2-gcc7.4.0 boost/1.59.0-gcc4.9.2 netcdf/4.3.3.1 plgrid/libs/netcdf/4.3.2-intel13.1 boost/1.62.0-gcc6.2.0 netcdf/4.3.3.1-gcc4.9.2 plgrid/libs/netcdf/4.3.3.1 boost/1.68.0-gcc6.2.0(default) netcdf/4.3.3.1-intel13.1 plgrid/libs/netcdf/4.3.3.1-gcc4.9.2 cairo/1.14.2 netcdf/4.3.3.1-intel15.0 plgrid/libs/netcdf/4.3.3.1-intel13.1 cairo/1.14.6-gcc4.9.2(default) netcdf/4.3.3.1-intel15.0dbg plgrid/libs/netcdf/4.3.3.1-intel15.0 cairomm/1.12.0-gcc4.9.2 netcdf/4.3.3.1-intel15.0-openmpi1.10.1 plgrid/libs/netcdf/4.3.3.1-intel15.0dbg castep/17.2-parallel netcdf/4.4.1.1-gcc6.2.0 plgrid/libs/netcdf/4.3.3.1-intel15.0-openmpi1.10.1 castep/17.2-serial netcdf/4.4.1-intel16.0 plgrid/libs/netcdf/4.4.1.1-gcc6.2.0 castep/18.1-parallel netcdf/4.4.1-pgi16.5 plgrid/libs/netcdf/4.4.1-intel16.0 castep/18.1-serial netcdf/4.6.2-gcc7.4.0(default) plgrid/libs/netcdf/4.4.1-pgi16.5 cfour/1.0-gcc5.1.0(default) netcdf-fortran/4.2-intel13.1 plgrid/libs/netcdf/4.6.2-gcc7.4.0 cfour/1.0-gcc7.4.0 netcdf-fortran/4.4.2-gcc4.9.2 plgrid/libs/openblas/0.2.14-gcc4.9.2 cfour/2.1-gcc7.4.0 netcdf-fortran/4.4.2-intel13.1 plgrid/libs/openblas/0.2.14-gcc5.1.0 cfx/16.0 netcdf-fortran/4.4.2-intel15.0 plgrid/libs/openblas/0.2.15-gcc5.2.0 cfx/16.2 netcdf-fortran/4.4.2-intel15.0dbg plgrid/libs/openblas/0.2.20-gcc7.4.0 cfx/17.2 netcdf-fortran/4.4.2-intel15.0-openmpi1.10.1 plgrid/libs/opencv/3.0.0 cfx/18.2(default) netcdf-fortran/4.4.4-gcc6.2.0 plgrid/libs/petsc/3.6.3 cfx/19.0 netcdf-fortran/4.4.4-gcc7.4.0(default) plgrid/libs/petsc/3.6.3-intel15.0 cgal/4.6.2-gcc4.9.2 netcdf-fortran/4.4.4-intel16.0 plgrid/libs/petsc/3.7.2-intel16.0 clustal-omega/1.2.1-gcc4.9.2 netcdf-fortran/4.4.4-pgi16.5 plgrid/libs/pixman/0.34.0-gcc4.9.2 clustalw/2.1-intel15.0 netcdf-python/1.2.1-gcc4.9.2 plgrid/libs/scalapack/2.0.2 cmake/3.10.2 netcdf-python/1.4.2-gcc7.4.0(default) plgrid/libs/scalapack/2.0.2-gcc4.9.2 cmake/3.13.4-gcc7.4.0(default) newton-x/2.0-gcc6.2.0 plgrid/libs/scalapack/2.0.2-intel15.0 cmake/3.2.1 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Python/2.7.14-iomkl-2018a CMake/3.9.5-GCCcore-6.4.0 impi/2018.3.222-iccifort-2018.3.222-GCC-7.3.0-2.30 Python/2.7.15-foss-2018b CUDA/9.2.88-GCC-7.3.0-2.30 impi/5.0.3.048-iccifort-2015.3.187-GNU-4.9.3-2.25 Python/2.7.15-fosscuda-2018b cuDNN/7.1.4.18-fosscuda-2018b intel/2015b Python/2.7.15-GCCcore-7.3.0-bare cURL/7.58.0-GCCcore-6.4.0 intel/2017b Python/2.7.15-intel-2018b cURL/7.60.0-GCCcore-7.3.0 intel/2018a Python/3.6.3-intel-2017b Doxygen/1.8.13-GCCcore-6.4.0 intel/2018b Python/3.6.4-foss-2018a Doxygen/1.8.14-GCCcore-6.4.0 intltool/0.51.0-GCCcore-6.4.0-Perl-5.26.1 Python/3.6.4-intel-2018a Doxygen/1.8.14-GCCcore-7.3.0 intltool/0.51.0-GCCcore-7.3.0-Perl-5.28.0 Python/3.6.4-iomkl-2018a EasyBuild/3.8.1 iomkl/2018a Python/3.6.6-foss-2018b EasyBuild/3.9.0 iomkl/2018b Python/3.6.6-fosscuda-2018b EasyBuild/3.9.1 iompi/2018a Python/3.6.6-intel-2018b EasyBuild/3.9.4 iompi/2018b PyYAML/3.12 Eigen/3.2.7-intel-2015b JasPer/2.0.14-GCCcore-6.4.0 PyYAML/3.12-intel-2018a-Python-3.6.4 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SQLite/3.20.1-GCCcore-6.4.0 flex/2.6.3 libjpeg-turbo/2.0.0-GCCcore-7.3.0 SQLite/3.21.0-GCCcore-6.4.0 flex/2.6.4 libpciaccess/0.14-GCCcore-6.4.0 SQLite/3.24.0-GCCcore-7.3.0 flex/2.6.4-GCCcore-6.4.0 libpciaccess/0.14-GCCcore-7.3.0 SQLite/3.8.10.2-intel-2015b flex/2.6.4-GCCcore-7.3.0 libpng/1.6.34-GCCcore-6.4.0 SWIG/3.0.12-foss-2018a-Python-2.7.14 fontconfig/2.12.6-GCCcore-6.4.0 libpng/1.6.34-GCCcore-7.3.0 SWIG/3.0.12-intel-2018b-Python-3.6.6 fontconfig/2.13.0-GCCcore-7.3.0 libreadline/6.3-foss-2016b SWIG/3.0.12-iomkl-2018a-Python-3.6.4 foss/2016b libreadline/6.3-intel-2015b Szip/2.1.1-GCCcore-6.4.0 foss/2018a libreadline/7.0-GCCcore-6.4.0 Szip/2.1.1-GCCcore-7.3.0 foss/2018b libreadline/7.0-GCCcore-7.3.0 Tcl/8.6.4-intel-2015b fosscuda/2018b libsndfile/1.0.28-GCCcore-6.4.0 Tcl/8.6.5-foss-2016b freetype/2.9.1-GCCcore-7.3.0 libsndfile/1.0.28-GCCcore-7.3.0 Tcl/8.6.7-GCCcore-6.4.0 freetype/2.9-GCCcore-6.4.0 LibTIFF/4.0.9-GCCcore-6.4.0 Tcl/8.6.8-GCCcore-6.4.0 GCC/4.9.3-binutils-2.25 LibTIFF/4.0.9-intel-2018b Tcl/8.6.8-GCCcore-7.3.0 GCC/5.4.0-2.26 libtool/2.4.6-foss-2016b TensorFlow/1.13.1-foss-2018b-Python-3.6.6 GCC/6.4.0-2.28 libtool/2.4.6-GCC-5.4.0-2.26 TensorFlow/1.8.0-foss-2018a-Python-3.6.4 GCC/7.3.0-2.30 libtool/2.4.6-GCCcore-6.4.0 Tk/8.6.4-intel-2015b-no-X11 GCCcore/5.4.0 libtool/2.4.6-GCCcore-7.3.0 Tk/8.6.5-foss-2016b GCCcore/6.4.0 libxml2/2.9.4-GCCcore-6.4.0 Tk/8.6.8-GCCcore-7.3.0 GCCcore/7.3.0 libxml2/2.9.7-GCCcore-6.4.0 Tk/8.6.8-iomkl-2018a gcccuda/2018b libxml2/2.9.8-GCCcore-7.3.0 UDUNITS/2.2.26-intel-2018b GDAL/2.2.3-foss-2018a-Python-2.7.14 libyaml/0.1.7 util-linux/2.31.1-GCCcore-6.4.0 GDAL/2.2.3-intel-2018b-Python-3.6.6 libyaml/0.1.7-GCCcore-6.4.0 util-linux/2.32-GCCcore-7.3.0 GDAL/2.2.3-iomkl-2018a-Python-3.6.4 libyaml/0.2.1-GCCcore-7.3.0 Wannier90/2.1.0-intel-2017b GEOS/3.6.2-foss-2018a-Python-2.7.14 LLVM/5.0.1-GCCcore-6.4.0 wheel/0.31.0-foss-2018a-Python-3.6.4 GEOS/3.6.2-intel-2018b-Python-3.6.6 LLVM/6.0.0-GCCcore-7.3.0 wheel/0.31.1-foss-2018b-Python-3.6.6 GEOS/3.6.2-iomkl-2018a-Python-3.6.4 M4/1.4.17 X11/20180131-GCCcore-6.4.0 gettext/0.19.8.1 M4/1.4.17-foss-2016b X11/20180604-GCCcore-7.3.0 gettext/0.19.8.1-GCCcore-6.4.0 M4/1.4.17-GCC-4.9.3-binutils-2.25 XML-Parser/2.44_01-GCCcore-6.4.0-Perl-5.26.1 gettext/0.19.8.1-GCCcore-6.4.0-libxml2-2.9.7 M4/1.4.17-GCC-5.4.0-2.26 XML-Parser/2.44_01-GCCcore-7.3.0-Perl-5.28.0 gettext/0.19.8.1-GCCcore-7.3.0 M4/1.4.17-GCCcore-5.4.0 xorg-macros/1.19.1-GCCcore-6.4.0 Ghostscript/9.22-GCCcore-6.4.0-cairo-1.14.12 M4/1.4.18 xorg-macros/1.19.2-GCCcore-7.3.0 GLib/2.54.3-GCCcore-6.4.0 M4/1.4.18-GCCcore-6.4.0 XZ/5.2.3-GCCcore-6.4.0 GLib/2.54.3-GCCcore-7.3.0 M4/1.4.18-GCCcore-7.3.0 XZ/5.2.4-GCCcore-7.3.0 GMP/6.1.1-foss-2016b magma/2.5.0-fosscuda-2018b zlib/1.2.11 GMP/6.1.2-GCCcore-6.4.0 Mako/1.0.7-intel-2018b-Python-2.7.15 zlib/1.2.11-GCCcore-6.4.0 GMP/6.1.2-GCCcore-7.3.0 Mako/1.0.7-iomkl-2018a-Python-2.7.14 zlib/1.2.11-GCCcore-7.3.0 GMT/5.4.3-foss-2018a Mesa/17.3.6-iomkl-2018a zlib/1.2.8 GNU/4.9.3-2.25 Mesa/18.1.1-intel-2018b zlib/1.2.8-GCC-4.9.3-binutils-2.25 gompi/2016b mkl-dnn/0.13-intel-2018a zlib/1.2.8-GCCcore-5.4.0 gompi/2018a NASM/2.13.03-GCCcore-6.4.0 zlib/1.2.8-intel-2015b gompi/2018b NASM/2.13.03-GCCcore-7.3.0
- module load [nazwa_modułu] - ładuje moduł [nazwa_modułu]
$ module load intel/12.1 binutils/2.25 load complete. intel/12.1 load complete.
- module list - wyświetla załadowane moduły
$ module list Currently Loaded Modulefiles: 1) binutils/2.25(default) 2) intel/12.1
- module rm [nazwa_modułu] - usuwa załadowany moduł
$ module rm binutils binutils/2.25 unload complete $ module list Currently Loaded Modulefiles: 1) intel/12.1
- module purge - usuwa wszystkie moduły