2021.4.6
TSUBAME operation for FY 2021 started around 17:00 today. The main changes are as follows.
- The system software version and the default version of apps have changed.
- If the student ID number changes due to higher education, your login name will change.
- Applications for use by research based on competitive funds and joint research agreements for the fiscal year 2021 are now being accepted.
- (For campus users) The usage of the interactive queue has been changed.
- (For access card users) Interactive queue is now available.
- code-server (a web implementation of VS Code) from TSUBAME portal is now available.
- The usage of LAMMPS, CP2K has been changed.
1. The system software version and the default version of apps have changed.
system software
| before the maintenance | after the maintenance | |
| kernel | 4.12.14-95.54 | 4.12.14-95.65 |
ISV, freeware
| before the maintenance | after the maintenance | |
| abaqus | 2020 | 2021 |
| ansys | R20.1 | R20.2 (*1) |
| amber | 18up5 | 20up08 (*1) |
| comsol | 55_u3 | 56_u1 (*1) |
| mathematica | 12.0.0 | 12.2.0 (*1) |
| matlab | R2020a | R2021a |
| gromacs | 2019.4 | 2020.4 (*1) |
| schrodinger | Feb-17 | 2020.2 (*1) 2021.1 (*5) |
| nvhpc | 20.9 | 21.2 |
| intel compiler | 19.1.0.166 | 19.1.3.304 |
| intel MPI | 19.6.166 | 19.9.304 |
| intel inspector | 20.0.0.603904 | 20.3.0.604771 |
| intel ITAC | 20.0.015 | 20.3.036 |
| intel vtune | 20.0.0.605129 | 20.3.0.612611 |
| intel oneAPI compiler | - | 21.1.1(*2) |
| intel oneAPI MPI | - | 21.1.1(*2) |
| intel oneAPI inspector | - | 21.1.1(*2) |
| intel oneAPI ITAC | - | 21.1.1(*2) |
| intel oneAPI vtune | - | 21.1.1(*2) |
| forge | 19.0.5 | 20.2.1 |
| clang | 10.0.0 | 11.1.0 |
| cp2k | 7.1.0 | 8.1.0 |
| CUDA runtime | 10.2 | 11.2 (*3) |
| cuDNN | 7.6 | 8.1 |
| FFTW | 3.3.8 | 3.3.9 |
| gcc | 8.3.0 | 10.2.0 |
| gnuplot | 5.2.4 | 5.4.1 |
| hdf5 | 1.10.5 | 1.12.0 |
| imagemagick | 7.0.6 | 7.0.11-1 |
| lammps | 9Oct2020 | 10Feb2021 |
| namd | 2.14b2 | 2.15alpha1 |
| nccl | 2.4.2 | 2.8.4 |
| netcdf | 4.7.0 | 4.7.4 |
| openfoam | 7.0 | 8.0 |
| openfoam-esi | v1912 | v2012 |
| paraview | 5.4.0 | 5.9.0 |
| petsc | 3.9.3 | 3.14.4 |
| python | 3.6.5 | 3.9.2 |
| singularity | 3.6.4 | 3.7.1 |
| tensorflow | 1.12.0 | 2.4.1 |
| tensorRT | 6.0.1.8 | 7.2.3.4 |
| tinker | 8.7.2 | 8.8.3 |
| tmux | 2.7 | 3.1 (*1) |
Applications installed by HPCI
| ABINIT-MP | 1.15 | 1.22 (*1) |
| FrontISTR | 5.0b | 5.1.1 (*1) |
| GENESIS | 1.3.0_gpu | 1.5.1_gpu (*1) |
| HΦ | 3.3.0 | 3.4.0 (*1) |
| MODYLAS | 1.0.4 | 1.1.0β (*1) |
| NTChem | 2013-10.1 | 2013-11.1 (*1) |
| OpenMX | 3.8.5 | 3.9.2 (*1) |
| PHASE/0 | 2018.01.01 | 2019.02 (*1) |
| SALMON | 1.2.1 | 2.0.0 (*1) |
*1: It is already installed on the current TSUBAME, and this will be the default version after maintenance.
*2: The module file name of intel oneAPI is the same as existing intel module file name.(ex: intel one API compiler 21.1.1: intel/21.1.1). The default will be the that is not intel oneAPI.
*3: CUDA 11.2 runtime will be installed, but the driver will continue to use CUDA 10.2. For this reason, the default version will remain 10.2.
*4: llvm is included in clang, if you want to use llvm please use clang module.
*5:please note that this version is not supported on SLES12SP4.
2. If the student ID number changes due to higher education, your login name will change.
Please note that the login name has been changed automatically. You can continue to use your registered SSH public key, etc.
reference : Account Login Name
3. Applications for use by research based on competitive funds and joint research agreements for the fiscal year 2021 are now being accepted.
For more information on the procedure, please refer to here.
4. (For campus users) The usage of the interactive queue has been changed.
Until last fiscal year, qrsh -q interactive was used to submit jobs to the dedicated queue for interactive jobs, but due to a change in the scheduler configuration, it has been changed to use the dedicated command iqrsh.
Other options (such as -l h_rt to specify the usage time) and how to use via TSUBAME portal are unchanged.
For more detail, please refer to User's Guide.
5. (For access card users) Interactive queue is now available.
The interactive queue was not available from TSUBAME accounts based on access cards, it is now available from this fiscal year.
6. code-server (a web implementation of VS Code) from TSUBAME portal is now available.
code-server (an implementation that allows you to use VS Code via a web browser) from the Web application execution function in TSUBAME portal is now available.
For more detail, please refer to User's Guide.
7. The usage of LAMMPS, CP2K has been changed.
Please note that the usage of the following freeware has been changed due to the upgrade during maintenance.
- LAMMPS
- loading python/3.6.5 is required.
- CP2K
- intel module is required to load, and cp2k.psmp is used instead of cp2k.popt.
For more detail, please refer to User's Guide.
8. (For experts) Web application launcher in TSUBAME portal now supports multiple-node jobs
Web application launcher in TSUBAME portal now supports running jobs with multiple nodes.
(Warning) This does not make Jupyter Lab, code-server, or any programs running in them automatically, but it requires parallelization of your program with MPI etc. If you don't understand this, we strongly recommend not to change the number of node from 1 to avoid waste of TSUBAME points.
For more detail, please refer to User's Guide.