MASAMUNE-II User manual
getting started
masamune-ii user manual
User manual(日本語)
CCMS
getting started
masamune-ii user manual
User manual(日本語)
CCMS
Index
Contents:
Getting Started
System Configuration of MASAMUNE-II
Logging In to the System
Transferring Files
Executing Calculations
1. How to Login
1.1. Node name of the supercomputing system in CCMS
1.2. Register SSH Public Key
1.3. How to login servers
1.4. How to use SSH relay server
1.5. (Reference)How to login with Tera Term(Windows)
1.6. (Reference)How to transfer file with WinSCP(Windows)
2. Storage configuration and usage
2.1. Storage configuration
2.2. How to check /home usage
3. Job submit/management commands
3.1. Job submit command(qsub command)
3.2. Format of an execution script
3.3. Interactive mode
3.4. Submitting jobs to Shared-Queue
3.5. Job execution order
3.6. Job management command
3.7. Display information about used and remained time of job execution
3.8. How to execute a MPI job
3.9. List of queues
4. Compilers and Libraries
4.1. Intel Compiler
4.2. NVIDIA HPC Compiler
4.3. CUDA toolkit
4.4. GNU Compilers and OpenMPI
4.5. Usage of Library
5. Usage of applications
5.1. Applications
5.2. Gaussian
5.3. GaussView 6
5.4. AVS/Express Developer
5.5. Materials Studio
5.6. CRYSTAL17
5.7. VASP 5
5.8. VASP 6
5.9. WIEN2k
5.10. ADF
5.11. ADF GUI
5.12. SIESTA
5.13. ABINIT
5.14. CPMD
5.15. QUANTUM ESPRESSO
5.16. LAMMPS
5.17. CP2K
5.18. Wannier90
5.19. GROMACS
5.20. TOMBO
5.21. OpenMX
5.22. SALMON
5.23. SMASH
5.24. ELK
5.25. ALAMODE
5.26. XCrySDen
5.27. Keras
5.28. TensorFlow
5.29. PyTorch
5.30. Japanese-compatible TeX
6. Usage of Python
6.1. About using Python
6.2. Install pyenv
6.3. Backing up the pyenv environment from the previous system
6.4. Setting environment variables
6.5. Operational check
6.6. Basic usage
6.7. Execution method
7. CCMS JupyterLab Operation Manual
7.1. How to Connect to CCMS JupyterLab Environment
7.2. How to Login
7.3. How to Use CCMS JupyterLab
7.4. How to Create a Conda Environment
8. How to Use Singularity
8.1. Creating Container Images (pull)
8.2. Cleaning the Cache (cache clean)
8.3. How to Run Containers
8.4. Job Script Examples
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3.9.
List of queues
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4.1.
Intel Compiler
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4.
Compilers and Libraries
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Contents:
4.1. Intel Compiler
4.2. NVIDIA HPC Compiler
4.3. CUDA toolkit
4.4. GNU Compilers and OpenMPI
4.5. Usage of Library
4.5.1. Intel MKL
4.5.2. cuBLAS
4.5.3. cuDNN
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