ARTED (Ab-initio Real-Time Electron Dynamics simulator) is an open-source computer codes for first-principles calculations of electron dynamics and light-matter interactions. It is based on time-dependent density functional theory solving time-dependent Kohn-Sham equation in real time using pseudopotentials and real-space grid representation.
ARTED has been developed in such a way that it runs optimally in the following supercomputer platforms:
- K-computer
- Fujitsu FX100 supercomputer system
- Linux PC Cluster with x86-64 CPU
- Linux PC Cluster with Intel Xeon Phi (Knights Corner)
ARTED has been developed by ARTED developers with support from Center for Computational Sciences, University of Tsukuba.
We use CMake cross-platform build tools.
CMake detects the below configurations automatically,
- MPI Fortran/C compiler
- OpenMP flag
- LAPACK(/BLAS) libraries
$ ./build
or
$ mkdir build_dir
$ cd build_dir
$ cmake .. && make
$ ./build -t sc intel avx knc
or
$ mkdir build_dir
$ cd builld_dir
$ cmake -D CMAKE_PLATFORM_TOOLCHAIN=intel-knc && make
$ cmake -D CMAKE_PLATFORM_TOOLCHAIN=intel-avx && make
$ ./build -t sc fujitsu k
or
$ mkdir build_dir
$ cd builld_dir
$ cmake -D CMAKE_PLATFORM_TOOLCHAIN=fujitsu-k && make
$ ./built fujitsu fx100
or
$ mkdir build_dir
$ cd builld_dir
$ cmake -D CMAKE_PLATFORM_TOOLCHAIN=fujitsu-fx100 && make
$ ./built fujitsu fx100
or
$ mkdir build_dir
$ cd builld_dir
$ cmake -D CMAKE_PLATFORM_TOOLCHAIN=gnu-generic && make
Please read to jobscript directory files.
$ mpirun -np $NUM_MPI_PROCS ./bin/ARTED_sc.cpu < ./data/input_sc.dat
- Intel Compiler version 16.0.2
- Intel MPI 5.1.3
- Intel MKL 11.3.2
- Fujitsu Compiler version K-1.2.0-20-1
- Fujitsu Compiler Driver Version 2.0.0
- GCC version 4.4.7
- OpenMPI 1.10.3
- LAPACK 3.6.0
ARTED is available under Apache License version 2.0.
Copyright 2016 ARTED developers
Licensed under the Apache License, Version 2.0 (the "License");
you may not use this file except in compliance with the License.
You may obtain a copy of the License at
http://www.apache.org/licenses/LICENSE-2.0
Unless required by applicable law or agreed to in writing, software
distributed under the License is distributed on an "AS IS" BASIS,
WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
See the License for the specific language governing permissions and
limitations under the License.
React
Typescript
Django
Laravel
Facebook
Microsoft
Google
Alibaba
D3
Tencent