module load deisa
will load the DEISA default set of modules.
presently only default precisions (4 Byte Integers, 4 Byte Reals, 8 Byte Double Precision) are supported in the library modules. For the most part versions built for other combinations simply don't exist (yet). For sgi systems, MPT and SCSL offer 8 Byte Integer versions which will be supported in a future Module set release.
Although in theory 32 Byte programs can run on the Itanium, this will never be supported in the DEISA CPE.
The following table gives an overview of the DEISA module stack. The status of the software stack can be inferred from the INCA web page.
If more than one version is available, the default production version is given in bold.
|
Module Name |
Module Class |
Description |
Version(s) |
Remarks |
|---|---|---|---|---|
|
cpmd |
applications |
Car-Parrinello molecular dynamics |
3.11.1 |
available on Altix based systems only |
|
namd |
applications |
electronic structure calculations on solids |
2.6b1 |
available on Altix based systems only |
|
deisa |
environment |
DEISA initialization |
|
If loaded, will generate a DEISA conforming environment for all subsequently loaded modules. This includes standard LRZ administrative modules and a set of default functionality modules. |
|
bash |
tools |
bourne-again shell |
3.1 |
default version is dummy module since in default path |
|
perl |
tools |
Practical Extraction and Reporting Language |
5.8.8 |
dummy module since in default path |
|
python |
tools |
Python |
2.4.2 |
dummy module since in default path |
|
tcl |
tools |
Tcl |
8.4.12 |
dummy module since in default path |
|
tcsh |
tools |
extended C shell |
6.14 |
dummy module since in default path |
|
tk |
tools |
Tk |
8.4.12 |
dummy module since in default path |
|
c |
compilers |
C compiler |
9.0 |
generic module, which will load the default Intel C compiler (module ccomp) if necessary |
|
c++ |
compilers |
C++ compiler |
10.1 |
generic module, which will load the default Intel C++ compiler (module ccomp) if necessary |
|
fortran |
compilers |
Fortran compiler |
10.1 |
default version of the Intel Fortran 95 compiler. |
|
java |
compilers |
Java Environment |
1.4.2, 1.5.0 |
default version is dummy module since in default path |
|
blas |
libraries |
Basic linear algebra routines |
1.0 |
dummy module which loads scsl module |
|
blassmp |
libraries |
Basic linear algebra routines (multi-threaded) |
1.0 |
dummy module which loads scslsmp module |
|
fftw |
libraries |
Fastest Fourier Transform in the West |
2.1.5, 3.1.1 |
Only 2.1.5 has MPI support; there are API changes between 2.1.5 and 3.x |
|
hdf5 |
libraries |
Hierarchical Data Format |
1.6.4 |
|
|
hdf5_mpi |
libraries |
Hierarchical Data Format |
1.6.4 |
MPI parallel version |
|
lapack |
libraries |
linear algebra package |
3.0 |
dummy module, which loads scsl module |
|
lapacksmp |
libraries |
linear algebra package (multi-threaded) |
3.0 |
dummy module, which loads scslsmp module |
|
mkl |
libraries |
Math Kernel Library from Intel: optimized BLAS, LAPACK, FFT, sparse solvers etc. |
8.0, 8.1, 9.1 |
|
|
nag |
libraries |
Numerical Algorithms Group Fortran 77 library |
21 |
|
|
netcdf |
libraries |
Network Common Data Format |
3.6.1 |
|
|
scalapack |
libraries |
scalable LAPACK (distributed memory) |
1.6 |
uses SCSL component for Altix based DEISA systems |
|
scalapacksmp |
libraries |
scalable LAPACK (distributed memory, threaded) |
1.6 |
uses multithreaded SCSL component for Altix based DEISA systems |
|
scsl |
libraries |
Scientific libraries from SGI, serial version: optimized BLAS, LAPACK, FFT for Altix. |
1.6 |
|
|
scslsmp |
libraries |
Scientific libraries from SGI, multi-threaded version: optimized BLAS, LAPACK, FFT for Altix. |
1.6 |
|
|
emacs |
tools |
Editor |
21.3 |
dummy module since in default path |
|
gmake |
tools |
expert build system |
3.80 |
dummy module since in default path |
|
histx |
tools |
profiling and performance counter measurements |
1.4 |
|
|
nedit |
tools |
Editor |
5.5 |
|
|
openssh |
tools |
secure shell implementation |
4.2p1 |
dummy module since in default path |
|
openssl |
tools |
secure sockets layer toolkit |
0.9.7g |
dummy module since installed into system |
DEISA functionality is implemented as a "thin" binding, i. e. enablement of DEISA functionality requires adding a single line of the form
source "$env(MODULE_INCLUDE)/<class_of_xyz>/deisa_xyz.tcl"
in the xyz module file. The included Tcl file then queries the DEISA_ENV variable and makes additional settings of DEISA Flags as needed. There are advantages and disadvantages to this procedure:
An existing module setup can be easily DEISA enabled. However it may be necessary to preprocess or slightly modify the included Tcl files. Note that there is still some variance between the internal Tcl variables used in the included Tcl files; future versions will make an attempt at better uniformization. Suggestions are welcome, but there are probably limits for what can and should be standardized here.
Any user can switch between a standard (e.g. LRZ) and grid (e.g. DEISA, but also other) environment, hence this environment is easily extensible.
Although the names of DEISA flags and the utilities themselves were taken from Denis Girou's work for the IBM homogeneous case, the module file package does not (and probably should not) coexist with his implementation.