If you have any remarks or suggestions, please contact the support team by email : hotline.tgcc@cea.fr
Notice: most of the software or libraries can be accessed by the module command (use module help, list, avail, etc.. on curie): contact the support team if you want to add or modify a module.
Contents
Mathematical libraries
|
Name |
Version |
Module |
Associated variables |
Documentation |
Comment |
|
1.45.0 |
boost/1.45.0 |
$BOOST_INC_DIR, $BOOST_LIB_DIR |
C++ library |
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|
2.1.5 |
fftw/2.1.5 |
$FFTW2_INC_DIR, $FFTW2_LIB_DIR |
C subroutine library for computing the discrete Fourier transform (DFT) |
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|
fftw/3.2.2 |
$FFTW3_INC_DIR, $FFTW3_LIB_DIR |
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1.14 |
gsl/1.14 |
$GSL_INC_DIR, $GSL_LIB_DIR |
Numerical library for C and C++ programmers(Gnu Scientific Library) |
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|
11.1.072 |
intel/11.1.072 |
$MKL_LIBS, $MKL_SCA_LIBS, $MKL_LIB_DIR |
Intel® MKL is a library of math routines for science, engineering, and financial applications |
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|
intel/12.0.084 |
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|
3.1-p6 |
petsc/3.1 |
$PETSC_INC_DIR, $PETSC_LIB_DIR |
Suite of data structures and routines for the scalable (parallel) solution of scientific applications modeled by partial differential equations |
Storage softwares and data handling
|
Name |
Version |
Module |
Associated Variables |
Documentation |
Comment |
|
1.8.5 |
hdf5/1.8.5 |
$HDF5_INC_DIR, $HDF5_LIB_DIR |
HDF5 is a data model, library, and file format for storing and managing data |
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|
4.0.1 |
$metis/4.0.1 |
$METIS_INC_DIR, $METIS_LIB_DIR |
Serial Graph Partitioning and Fill-reducing Matrix Ordering |
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|
4.9.2 |
mumps/4.9.2 |
$MUMPS_INC_DIR, $MUMPS_LIB_DIR |
A parallel sparse direct solver |
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|
4.0.5 |
nco/4.0.5 |
$NCO_INC_DIR , $NCO_LIB_DIR |
The netCDF Operators (NCO) are a suite of standalone, command-line programs like, e.g., ls or mkdir |
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|
4.1.1 |
netcdf/4.1.1 |
$NETCDF_INC_DIR , $NETCDF_LIB_DIR |
Set of software libraries and machine-independent data formats that support the creation, access, and sharing of array-oriented scientific data |
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|
3.1.1 |
parmetis/3.1.1 |
$PARMETIS_INC_DIR , $PARMETIS_LIB_DIR |
Parallel Graph Partitioning and Fill-reducing Matrix Ordering |
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|
1.8.5 |
phdf5/1.8.5 |
$HDF5_INC_DIR, $HDF5_LIB_DIR |
Parallel HDF5 |
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|
5.1.11 |
ptscotch/5.1.11 |
$PTSCOTCH_INC_DIR, $PTSCOTCH_LIB_DIR |
Parallel scotch |
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|
5.1.11 |
scotch/5.1.11 |
$SCOTCH_INC_DIR, $SCOTCH_LIB_DIR |
Software package and libraries for sequential and parallel graph partitioning, static mapping, and sparse matrix block ordering, and sequential mesh and hypergraph partitioning |
Calculation codes
Most of the codes require no access path to the binary file. The binary file is automaticly defined by loading the module. However, some of them require additionnal environment variables. You can visualize them by using the command :module show [nom_module].
|
Name |
Version |
Module |
Documentation |
Comment |
User restrictions |
|
6.4.2 |
abinit/6.4.2 |
Parallel molecular dynamics code |
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|
2.0.0 |
saturne/2.0.0 |
EDF's general purpose Computational Fluid Dynamics (CFD) software |
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|
3.13.2 |
cpmd/3.13.2 |
Plane wave/pseudopotential implementation of Density Functional Theory, particularly designed for ab-initio molecular dynamics |
Need to belong to the cpmd group (Conditions) |
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|
4.2.1 |
espresso/4.2.1 |
integrated suite of computer codes for electronic-structure calculations and materials modeling at the nanoscale. It includes PWSCF code. |
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|
9-B.01 |
gaussian/09-B01 |
Provides capabilities for electronic structure modeling |
gaussian group only |
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|
4.5.3 |
gromacs/4.5.3 |
Versatile package to perform molecular dynamics |
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|
2.7 |
namd/2.7 |
Parallel molecular dynamics code designed for high-performance simulation of large biomolecular systems |
Need to belong to the namd group Upload new attachment "NAMD_Download_Restrictions.pdf" |
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|
2.0.2 |
siesta/2.0.2 |
Spanish Initiative for Electronic Simulations with Thousands of Atoms |
Siesta group |
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|
5.2.11 |
vasp/5.2.11 |
VASP Vienna Ab-initio Simulation Package |
Vasp group (A licence is needed) |
Visualization softwares and data handling
|
Name |
Version |
Module |
Associated Variables |
Documentation |
Comment |
|
1.4.6 |
cdo/1.4.6 |
CDO is a collection of command line Operators to manipulate and analyse Climate and forecast model Data. Supported data formats are GRIB, netCDF, SERVICE, EXTRA and IEG |
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|
6.6.1 |
ferret/6.6.1 |
$FER_DIR |
Logiciel de visualisation et d'analyse adapté aux besoins des océanographes et des météorologistes |
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|
4.7.1 |
qt/4.7.1 |
Graphical library |
Profiling and Debugging sofwares
|
Name |
Version |
Module |
Associated Variables |
Documentation |
Comment |
|
3.3.12 |
ddd/3.3.12 |
GNU DDD is a graphical front-end for command-line debuggers such as GDB, DBX, WDB, Ladebug, JDB, XDB, the Perl debugger, the bash debugger bashdb, the GNU Make debugger remake, or the Python debugger pydb |
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|
2.6.1 |
ddt/2.6.1 |
$DDTPATH |
Userguide DDT pdf and Curie's Manual |
Comprehensive graphical debugger for scalar, multi-threaded and large-scale parallel applications that are written in C, C++ and Fortran |
|
|
4.1.1 |
papi/4.1.1 |
$PAPI_INC_DIR, $PAPI_LIB_DIR, $PAPI_LIBS |
Profiling tool |
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|
3.99 |
paraver/3.99 |
Profiling tool |
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|
1.3.2 |
scalasca/1.3.2 |
Graphical performance analysis of parallel applications |
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|
3.6.0 |
valgrind/3.6.0 |
Profiling tool and memory analysis |
Development
|
Name |
Version |
Module |
Associated Variables |
Documentation |
Comment |
|
2.8.3 |
cmake/2.8.3 |
Compilation tool (as Make) |
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|
4.5.1 |
gcc/4.5.1 |
The GNU compiler collection |
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|
11.1.072 |
intel/11.1.072 |
The Intel compiler collection |
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|
intel/12.0.084 |
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|
1.6.0-23 |
jdk/1.6.0-23 |
Sun Microsystems product aimed at Java developers |
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|
0.17.2 |
bullmpi/0.17.2 |
MPI Library |
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|
bullmpi/0.18.1 |
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|
1.0.1 |
bullxmpi/1.0.1 |
MPI Library |
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|
2.0.1 |
swig/2.0.1 |
Software development tool that connects programs written in C and C++ with a variety of high-level programming languages. SWIG is used with different types of target languages including common scripting languages such as Perl, PHP, Python, Tcl and Ruby. |