Songshan Lake Laboratory
Platform for Data Driven Computational Materials Discovery
Tiangong Supercomputer
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SYSTEM OVERVIEW:
Tiangong consists of 4 login and 179 compute nodes, which are connected with InfiniBand(100 GB/s).
8 partitions:
+------------+-------------+----------+--------------------------------+
| partitions | Nodes | Walltime | Specifications |
+------------+-------------+----------+--------------------------------+
|debug | | 30 mins | |
+------------+ +----------+ 2 Intel Xeon Gold 6140 CPU |
|regular | | 3 days | 36 Cores |
+------------+ +----------+ 192GB Mem |
|premium | node[1-168] | 3 days | Priority: |
+------------+ +----------+ debug = premium = long |
|long | | 10 days | >regular > highthro|
+------------+ +----------+ |
|highthro | | 3 days | |
+------------+-------------+----------+--------------------------------+
| | | | 2 Hygon 7185 CPU |
|hygon |node[169-176]| 3 days | 64 Cores |
| | | | 256GB Mem |
+------------+-------------+----------+--------------------------------+
| | | | 4 Intel Xeon Gold 6140 CPU |
|bigmem |node[177-178]| 3 days | 72 Cores |
| | | | 1TB Mem |
+------------+-------------+----------+--------------------------------+
| | | | 4 Intel Xeon Gold 6140 CPU |
|gpu | node179 | 3 days | 72 Cores |
| | | | 384GB DDR4 |
| | | | 8 NVIDIA Tesla V100 GPU, 32GB |
+------------+-------------+----------+--------------------------------+
OS: CentOS 7.4
Compiler: GNU, Intel C/C++/Fortran
Math library: MKL
Software: VASP, QE
Workload manager: Slurm
Tools: Module
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COMMON COMMANDS FOR MODULE & SLURM:
module avail：Show available modules
module list：Show loaded modules
module load：Load a module
module unload：Unload a module
module purge：Unload all already loaded modules
sinfo：Query partitions information
squeue：Query jobs information
sbatch：Submit a job
scancel：Cancel a submitted job
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EXAMPLE FOR JOB SUBMISSION:
Submit a vasp job to the regular partition on a compute node with 36 cores:
New a vasp.slurm file：
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#!/bin/bash
#SBATCH -J test
#SBATCH -p regular
#SBATCH -N 1
#SBATCH --ntasks-per-node=36
#SBATCH -o test.out
module load mpi/intelmpi/2017.4.239
srun --mpi=pmi2 /public/software/vasp/vasp.5.4.1-impi/bin/vasp_std
----------------------------------------------
>>sbatch vasp.slurm
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NOTES:
1. Please use a complicated password;
2. Do not run jobs on a login node, please submit jobs through the slurm;
3. Please keep your disk space less than 500GB, delete junk files and backup data regularly.
____ Welcome to the Tiangong Supercomputer of SSlakelab! ____ | 1 | | 2 | | H | | He | | __ |____ ____ ____ ____ ____ ____|____| | 3 | 4 | | 5 | 6 | 7 | 8 | 9 | 10 | | Li | Be | | B | C | N | O | F | Ne | | __ | __ | | __ | __ | __ | __ | __ | __ | | 11 | 12 | | 13 | 14 | 15 | 16 | 17 | 18 | | Na | Mg | | Al | Si | P | S | Cl | Ar | | __ | __ |____ ____ ____ ____ ____ ____ ____ ____ ____ ____| __ | __ | __ | __ | __ | __ | | 19 | 20 | 21 | 22 | 23 | 24 | 25 | 26 | 27 | 28 | 29 | 30 | 31 | 32 | 33 | 34 | 35 | 36 | | K | Ca | Sc | Ti | V | Cr | Mn | Fe | Co | Ni | Cu | Zn | Ga | Ge | As | Se | Br | Kr | | __ | __ | __ | __ | __ | __ | __ | __ | __ | __ | __ | __ | __ | __ | __ | __ | __ | __ | | 37 | 38 | 39 | 40 | 41 | 42 | 43 | 44 | 45 | 46 | 47 | 48 | 49 | 50 | 51 | 52 | 53 | 54 | | Rb | Sr | Y | Zr | Nb | Mo | Tc | Ru | Rh | Pd | Ag | Cd | In | Sn | Sb | Te | I | Xe | | __ | __ | __ | __ | __ | __ | __ | __ | __ | __ | __ | __ | __ | __ | __ | __ | __ | __ | | 55 | 56 | | 72 | 73 | 74 | 75 | 76 | 77 | 78 | 79 | 80 | 81 | 82 | 83 | 84 | 85 | 86 | | Cs | Ba | | Hf | Ta | W | Re | Os | Ir | Pt | Au | Hg | Tl | Pb | Bi | Po | At | Rn | | __ | __ | __ | __ | __ | __ | __ | __ | __ | __ | __ | __ | __ | __ | __ | __ | __ | __ | | 87 | 88 | |104 |105 |106 |107 |108 |109 |110 |111 |112 |113 |114 |115 |116 |117 |118 | | Fr | Ra | | Rf | Db | Sg | Bh | Hs | Mt | Ds | Rg | Cn | Nh | FI | Ms | Lv | Ts | Og | |____|____|____|____|____|____|____|____|____|____|____|____|____|____|____|____|____|____| ____ ____ ____ ____ ____ ____ ____ ____ ____ ____ ____ ____ ____ ____ ____ | 57 | 58 | 59 | 60 | 61 | 62 | 63 | 64 | 65 | 66 | 67 | 68 | 69 | 70 | 71 | Lanthanides | La | Ce | Pr | Nd | Pm | Sm | Eu | Gd | Tb | Dy | Ho | Er | Tm | Yb | Lu | | __ | __ | __ | __ | __ | __ | __ | __ | __ | __ | __ | __ | __ | __ | __ | | 89 | 90 | 91 | 92 | 93 | 94 | 95 | 96 | 97 | 98 | 99 |100 |101 |102 |103 | Actinides | Ac | Th | Pa | U | Np | Pu | Am | Cm | Bk | Cf | Es | Fm | Md | No | Lr | |____|____|____|____|____|____|____|____|____|____|____|____|____|____|____| ----------------------------------- Monthly System Maintenance: 25th | -----------------------------------