Différences

Ci-dessous, les différences entre deux révisions de la page.

--- documentation:tools:library:libxc [2014/10/09 13:32] – créée ltaulell
+++ documentation:tools:library:libxc [2020/08/25 15:58] – modification externe 127.0.0.1
@@ Ligne 1: / Ligne 1: @@
-====== libXC 2.0.1 ======
+====== libXC 2.2.2 ======
+===== GCC - OpenMPI =====
-**Version pour cp2k 2.5.1**
-===== version gcc 4.7.2 =====
+^  Version  ^  Compilateur  ^  Interconnexion  ^  chemin d'accès  ^  OS  ^
+|  2.2.2  |  GCC/7.2.0 OpenMPI/3.0.0  |  N/A  |''${SITE}/MPI/GCC/7.2.0/OpenMPI/3.0.0/libxc/2.2.2'' |  Debian 9  |
+| | **modulefile** : ''GCC/7.2.0/OpenMPI/3.0.0/libxc/2.2.2''  ||||
+|  2.2.2  |  GCC/6.4.0 OpenMPI/3.0.0  |  N/A  |''${SITE}/MPI/GCC/6.4.0/OpenMPI/3.0.0/libxc/2.2.2'' |  Debian 9  |
+| | **modulefile** : ''GCC/6.4.0/OpenMPI/3.0.0/libxc/2.2.2''  ||||
+|  2.2.2  |  GCC/7.2.0 OpenMPI/3.0.0  |  N/A  |''${SITE}/MPI/GCC/7.2.0/OpenMPI/3.0.0/libxc/2.2.2'' |  Debian 9  |
+| | **modulefile** : ''GCC/7.2.0/OpenMPI/3.0.0/libxc/2.2.2''  ||||
+===== intel - impi =====
+^  Version  ^  Compilateur  ^  Interconnexion  ^  chemin d'accès  ^  OS  ^
+|  2.2.2  |  intel/2017.4b - impi/2017.3.196  |  N/A  |''${SITE}/MPI/intel/2017.4b/impi/2017.3.196/libxc/2.2.2'' |  Debian 9  |
+| | **modulefile** : ''intel/2017.4b/impi/2017.3.196/libxc/2.2.2''  ||||
+<code>${SITE}=/applis/PSMN/debian9/software</code>
+===== Deprecated =====
+<hidden>
+==== gcc-5.4.0-x55/sequential ====
+<code make>
+module load gcc/5.4.0
+./configure --prefix=/applis/PSMN/debian7/Libs/libXC/2.2.2/gcc-5.4.0-x55/sequential
+</code>
+<code bash>
+LD_LIBRARY_PATH="/applis/PSMN/debian7/Libs/libXC/2.2.2/gcc-5.4.0-x55/sequential/lib:$LD_LIBRARY_PATH"
+LD_RUN_PATH="/applis/PSMN/debian7/Libs/libXC/2.2.2/gcc-5.4.0-x55/sequential/lib:$LD_RUN_PATH"
+</code>
+==== gcc-5.4.0-x55/mpi-2.0.1 ====
+<code make>
+module load openmpi/2.0.1-gnu-5.4.0
+OMPI_CC=/applis/PSMN/compil/gcc/5.4.0/bin/gcc OMPI_CXX=/applis/PSMN/compil/gcc/5.4.0/bin/g++ OMPI_FC=/applis/PSMN/compil/gcc/5.4.0/bin/gfortran CFLAGS="-mtune=generic -O2 -msse4a"  FCFLAGS="-mtune=generic -ffree-line-length-none" CXXFLAGS="-mtune=generic" FC_LDFLAGS_EXTRA="-fopenmp" CC=/applis/PSMN/debian7/openmpi/2.0.1/gnu/5.4.0/bin/mpicc CXX=/applis/PSMN/debian7/openmpi/2.0.1/gnu/5.4.0/bin/mpic++ FC=/applis/PSMN/debian7/openmpi/2.0.1/gnu/5.4.0/bin/mpif90 ./configure --prefix=/applis/PSMN/debian7/Libs/libXC/2.2.2/gcc-5.4.0-x55/mpi-2.0.1/
+</code>
+<code bash>
+LD_LIBRARY_PATH="/applis/PSMN/debian7/Libs/libXC/2.2.2/gcc-5.4.0-x55/mpi-2.0.1/lib:$LD_LIBRARY_PATH"
+LD_RUN_PATH="/applis/PSMN/debian7/Libs/libXC/2.2.2/gcc-5.4.0-x55/mpi-2.0.1/lib:$LD_RUN_PATH"
+</code>
+===== libXC 2.0.1 =====
+<note tip>Si vous avez besoin d'une libXC standard, la version 2.0.2 est disponible de base dans l'environnement debian (**modulefile Base/psmn**)</note>
+<note warning>**cette version ne sert QUE pour cp2k 2.5.1**</note>
+===== version intel 14 (intel-14.0.1-avx) =====
 <code>
-#source /usr/local/modeles/set_debian7-clean.sh
+module load openmpi/1.6.4-intel-14.0.1
-#source /usr/local/modeles/sge.sh
-module load Base/psmn
-#OMPI_CC=/usr/bin/gcc-4.7 OMPI_CXX=/usr/bin/g++-4.7 OMPI_FC=/usr/bin/gfortran-4.7 CFLAGS="-mtune=generic -O2 -msse4a" FCFLAGS="-mtune=generic -ffree-line-length-none" CXXFLAGS="-mtune=generic" FC_LDFLAGS_EXTRA="-fopenmp" CC=mpicc.openmpi CXX=mpic++.openmpi FC=mpif90.openmpi \
+OMPI_CC=/softs/openmpi-1.6.4-intel-14.0.1-debian7/bin/mpicc OMPI_CXX=/softs/openmpi-1.6.4-intel-14.0.1-debian7/bin/mpic++ OMPI_FC=/softs/openmpi-1.6.4-intel-14.0.1-debian7/bin/mpif90 CFLAGS="-mtune=native -O2" FCFLAGS="-mtune=native -ffree-line-length-none" CXXFLAGS="-mtune=native" FC_LDFLAGS_EXTRA="-fopenmp" CC=/softs/intel/v13/bin/icc FC=/softs/intel/v13/bin/ifort ./configure --prefix=/applis/PSMN/debian7/Libs/libXC/2.0.1/intel-14.0.1-avx
-./configure --prefix=/applis/PSMN/debian7/Libs/libXC/2.0.1/full-debian7
+./configure --prefix=/applis/PSMN/debian7/Libs/libXC/2.0.1/intel-14.0.1-avx
-./configure --prefix=/applis/PSMN/debian7/Libs/libXC/2.0.1/full-debian7
 make
 make check
@@ Ligne 24: / Ligne 82: @@
 </code>
+<code>
+Libraries have been installed in:
+   /applis/PSMN/debian7/Libs/libXC/2.0.1/intel-14.0.1-avx/lib
-===== version intel 14 (intel-14.0.1-avx) =====
+If you ever happen to want to link against installed libraries
+in a given directory, LIBDIR, you must either use libtool, and
+specify the full pathname of the library, or use the `-LLIBDIR'
+flag during linking and do at least one of the following:
+   - add LIBDIR to the `LD_LIBRARY_PATH' environment variable
+     during execution
+   - add LIBDIR to the `LD_RUN_PATH' environment variable
+     during linking
+   - use the `-Wl,-rpath -Wl,LIBDIR' linker flag
+</code>
+===== version gcc 4.7.2 =====
 <code>
-module load openmpi/1.6.4-intel-14.0.1
+#source /usr/local/modeles/set_debian7-clean.sh
+#source /usr/local/modeles/sge.sh
+module load Base/psmn
-OMPI_CC=/softs/openmpi-1.6.4-intel-14.0.1-debian7/bin/mpicc OMPI_CXX=/softs/openmpi-1.6.4-intel-14.0.1-debian7/bin/mpic++ OMPI_FC=/softs/openmpi-1.6.4-intel-14.0.1-debian7/bin/mpif90 CFLAGS="-mtune=native -O2" FCFLAGS="-mtune=native -ffree-line-length-none" CXXFLAGS="-mtune=native" FC_LDFLAGS_EXTRA="-fopenmp" CC=/softs/intel/v13/bin/icc FC=/softs/intel/v13/bin/ifort ./configure --prefix=/applis/PSMN/debian7/Libs/libXC/2.0.1/intel-14.0.1-avx
+#OMPI_CC=/usr/bin/gcc-4.7 OMPI_CXX=/usr/bin/g++-4.7 OMPI_FC=/usr/bin/gfortran-4.7 CFLAGS="-mtune=generic -O2 -msse4a" FCFLAGS="-mtune=generic -ffree-line-length-none" CXXFLAGS="-mtune=generic" FC_LDFLAGS_EXTRA="-fopenmp" CC=mpicc.openmpi CXX=mpic++.openmpi FC=mpif90.openmpi \
+./configure --prefix=/applis/PSMN/debian7/Libs/libXC/2.0.1/full-debian7
-./configure --prefix=/applis/PSMN/debian7/Libs/libXC/2.0.1/intel-14.0.1-avx
+./configure --prefix=/applis/PSMN/debian7/Libs/libXC/2.0.1/full-debian7
 make
 make check
@@ Ligne 44: / Ligne 118: @@
 </code>
+<code>
+Libraries have been installed in:
+   /applis/PSMN/debian7/Libs/libXC/2.0.1/full-debian7/lib
+If you ever happen to want to link against installed libraries
+in a given directory, LIBDIR, you must either use libtool, and
+specify the full pathname of the library, or use the `-LLIBDIR'
+flag during linking and do at least one of the following:
+   - add LIBDIR to the `LD_LIBRARY_PATH' environment variable
+     during execution
+   - add LIBDIR to the `LD_RUN_PATH' environment variable
+     during linking
+   - use the `-Wl,-rpath -Wl,LIBDIR' linker flag
+</code>
+</hidden>

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Vous êtes ici : accueil » documentation » tools » library » libxc

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