Différences

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

Lien vers cette vue comparative

Les deux révisions précédentesRévision précédente
Prochaine révision
Révision précédente
documentation:tools:library:libxc [2016/12/07 13:04] – [libXC 2.2.2] ltaulelldocumentation:tools:library:libxc [2023/01/12 10:03] (Version actuelle) – supprimée ltaulell
Ligne 1: Ligne 1:
-===== libXC 2.2.2 ===== 
- 
-* /applis/PSMN/debian7/Libs/libXC/2.2.2/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> 
- 
- 
-  * /applis/PSMN/debian7/Libs/libXC/2.2.2/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> 
- 
- 
-===== 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> 
-module load openmpi/1.6.4-intel-14.0.1 
- 
-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/intel-14.0.1-avx 
- 
-make 
-make check 
- 
-FAIL: xc-run_testsuite 
-================================ 
-1 of 1 test failed 
- 
-make install 
-</code> 
- 
-<code> 
-Libraries have been installed in: 
-   /applis/PSMN/debian7/Libs/libXC/2.0.1/intel-14.0.1-avx/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> 
- 
-===== version gcc 4.7.2 ===== 
- 
-<code> 
-#source /usr/local/modeles/set_debian7-clean.sh 
-#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 \ 
-./configure --prefix=/applis/PSMN/debian7/Libs/libXC/2.0.1/full-debian7 
- 
-./configure --prefix=/applis/PSMN/debian7/Libs/libXC/2.0.1/full-debian7 
-make 
-make check 
- 
-FAIL: xc-run_testsuite 
-================================ 
-1 of 1 test failed 
- 
-make install 
-</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> 
- 
- 
- 
- 
- 
- 
  
documentation/tools/library/libxc.1481115877.txt.gz · Dernière modification : 2020/08/25 15:58 (modification externe)