Software | Version |
---|---|
General | |
Java Development Kit | > 6 |
Ruby | > 2 |
CMake | N/A |
Fusion | |
MKL/LAPACK | N/A |
FFTW3 | N/A |
libxml2 | N/A |
The following instructions currently only apply to SuperMUC, however all sites should eventually stick to similar conventions.
Add the ComPat modules directory to the MODULEPATH environment variable by appending the following line to your ~/.bash_profile
:
export MODULEPATH=$MODULEPATH:/gpfs/work/pr92ge/di25pul/Modules
Then run module load compat
.
The command below will take you to the shared directory of the ComPat project.
cd $COMPAT_SHARED
The $COMPAT_SHARED
directory is structured as follows:
$COMPAT_SHARED/ /Astro /Bio /Common /Fusion /Modules
Use module load name
to load the module by name
and module help name
to see information about that module. Use module unload name
to unload the module and undo the changes to the environment.
To see all ComPat modules: module avail compat
Module | Description |
---|---|
compat | Will load the standard ComPat environment. |
compat/common/ruby | Ruby |
compat/common/muscle2 | MUSCLE2 |
compat/common/amuse | AMUSE |
compat/common/namd | NAMD |