服务器软件目录
75.3(2025.03.14,4090*8)
172.21.75.3
dddc
dddc1201
- 2025.03.19
- 卢瑞：我在75.3的/home/dddc/software下安装conda，大家之后有需可以直接使用啦
- 周兆寅：gmx2024 调用方法 source ~/zyzhou/env/gmx2024.sh
75.2(2024.12.02)
22
172.21.75.2
dddc
P@ssw0rd
75.1(4090*3)
22
172.21.75.1
dddc
dddc1201
3090
22
172.21.85.2
dddc
dddc1201
22224
22
172.21.85.24
lywu
dddc2023
22223
22
172.21.85.23
dddc
dddc1205
gpu4n
22
172.21.85.9
chpeng
22201
22
172.21.85.17
zjxu
dddc1205
22202
22
172.21.85.12
zjxu
dddc1205
无203和204
22205
22
172.21.85.13
zjxu
dddc1205
22206
22
172.21.85.14
dddc
dddc1205
22207
22
172.21.85.11
g16
dddc1201
22208
22
172.21.85.3
jawang
123456
22209
22
172.21.85.1
jawang
22210
22
172.21.85.2
jawang
P@ssw0rddddc
无22211
22212
22
172.21.85.15
jawang
P@ssw0rddddc
无22213 22214 22215
22216
22
172.21.85.10
jawang
P@ssw0rddddc
22217
22
172.21.85.4
jawang
P@ssw0rddddc
22218
22
172.21.85.5
jawang
P@ssw0rddddc
22219
22
172.21.85.6
jawang
P@ssw0rddddc
22220
22
172.21.85.7
22221
22
172.21.85.8
jawang
更新日期：2021.11.29
更新日期：2021.12.29
| 服务器 | IP地址 | CPU | GPU | Gaussian | gmx | plumed | amber | acpype | Mdtraj | PyMOL | ifort | maestro | obabel | smina | rosetta | Autodock CrankPep | |
| 1 | 22201 | 85.17 | 64 | / | g16 | / | / | / | 11.5.011 | 2.4.1 | √ | ||||||
| 2 | 22202 | 85.12 | 64 | / | g16 | / | / | amber16 | 10.2.010 | 2.4.1 | √ | ||||||
| 3 | 22205 | 85.13 | 32 | / | g16 | / | / | / | base/pisco.fitting | 10.2.010 | 3.1.0 | √ | |||||
| 4 | 22206 | 85.14 | 40 | / | g16 | / | / | / | base/pisco.fitting | 11.5.011 | |||||||
| 5 | 22207 | 85.11 | 112 | / | g16 | / | / | / | 11.5.011 | 3.1.0 | √ | ||||||
| 6 | 22212 | 85.15 | 80 | / | g09 | vsREMD | / | amber12 | |||||||||
| 7 | 22208 | 85.3 | 24 | 2*1080 | g09 | gmx514 | √ | amber20 | 11.5.011 | 3.1.0 | / | ||||||
| 8 | 22209 | 85.2 | 24 | TitanX | g09 | gmx514 | √ | amber16 | √ | base/pisco.fitting | |||||||
| 9 | 22210 | 85.1 | 24 | 2080ti | g09 | gmx514 | √ | amber16 | |||||||||
| 10 | 22216 | 85.10 | 24 | K40m | g09 | gmx514 | √ | amber16 | / | ||||||||
| 11 | 22217 | 85.4 | 32 | 1080 | g09 | gmx514 | √ | amber16 | √ | / | |||||||
| 12 | 22218 | 85.5 | 32 | 2*1080 | g09 | vsREMD | gmx514-plumed | amber16 | / | ||||||||
| 13 | 22219 | 85.6 | 32 | 1080 | g09,g16 | gmx514 | √ | amber18 | √ | / | |||||||
| 14 | 22220 | 85.7 | 32 | 1080 | g09,g16 | gmx514 | √ | amber16 | / | ||||||||
| 15 | 22221 | 85.8 | 32 | 1080ti | g09, g16 | gmx514 | √ | amber20 | √ | √ | base/pisco.fitting | 19.0.5.281 | 10.2.010 | / | / | 2019 | |
| 16 | gpu4n | 85.9 | 40 | 3*V100 | g09, g16 | gmx-2019 | gmx2019-plumed | amber18 | √ | base/pisco.fitting | 17.0.8 | 1.0 | |||||
| 17 | 22223 | 85.23 | 256 | g16 | 11.5.011 | √ | 2021 | ||||||||||
| 18 | snowlake | 171.15 | |||||||||||||||
| 19 | 3090 | 172.21.85.2 | |||||||||||||||