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ALPS

ALPS

Kurzinformation

The ALPS project (Algorithms and Libraries for Physics Simulations) is an open source effort aiming at providing high-end simulation codes for strongly correlated quantum mechanical systems as well as C++ libraries for simplifying the development of such code. ALPS strives to increase software reuse in the physics community.  More information can be found at http://alps.comp-phys.org/

The ALPS software use MPI, Boost, HDF5 and Intel MKL libraries.


 Detailinformation 

To initialize the environment, use

$ module load LIBRARIES; module load hdf5 boost; module load alps

Note: you DO NOT NEED to load Intel MKL module when using the Intel compiler (default environment).

This will set the environment variables ALPS_ROOT, ALPS_HOME, FLAGS_ALPS_INCLUDE  and FLAGS_ALPS_LINKER for compiling and linking and enhance the environment variables PATH, PYTHONPATH, LD_LIBRARY_PATH, FLAGS_MATH_....

Alternatively, cmake may be used as described here: http://alps.comp-phys.org/mediawiki/index.php/Tutorials:Alpsize-01_CMake

Or you use ALPS from Python: http://alps.comp-phys.org/mediawiki/index.php/Tutorials:Code-01_Python

 

Example MPI job:

#!/usr/local_rwth/bin/zsh
 
### Job name
#SBATCH --job-name=ALPS_MPI
 
### File / path where STDOUT will be written, the %J is the job id
#SBATCH --output=alps-job-log.%J
 
### Request the time you need for execution. The full format is D-HH:MM:SS
### You must at least specify minutes or days and hours and may add or
### leave out any other parameters
#SBATCH --time=80
 
### Request memory you need for your job in MB
#SBATCH --mem-per-cpu=3900
 
### Request number of CPUs
#SBATCH --ntasks=8
 
### load the necessary module files
module load LIBRARIES
module load hdf5 boost
module load alps
 
### start the MPI binary
$MPIEXEC $FLAGS_MPI_BATCH dmft DMFT1

zuletzt geändert am 29.01.2021

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