| 软件行业分类 |
软件名称 |
版本 |
安装路径 |
| 虚拟筛选 |
VirtualFlow |
/ |
/lustre1/software/app/VirtualFlow/1.0 |
| 分子动力学模拟 |
NAMD |
2.14 |
/lustre1/software/app/NAMD/2.14/intelmpi_2021.1.1-gcc.8.3.0 |
| 分子动力学模拟 |
GROMACS/td>
| 2021.2 |
/lustre1/software/app/GROMACS/2021.2/intelmpi_2021.1.1-gcc.8.3.0 |
| 分子动力学模拟 |
LAMMPS |
29Oct20 |
/lustre1/software/app/LAMMPS/29Oct20/intelmpi_2021.1.1-gcc.8.3.0
/lustre1/software/app/LAMMPS/29Oct20/openmpi_4.1.1-gcc.8.3.0
|
| 分子动力学模拟 |
CP2K |
7.1 |
/lustre1/software/app/CP2K/7.1/mpich3.4.2-gcc8.3.0 |
| 分子动力学模拟 |
VASP |
7.1 |
/lustre1/software/app/VASP/5.4.4/intelmpi_2021.1.1-gcc.8.3.0 |
| CAE |
Elmer |
8.4 |
/lustre1/software/app/Elmer/8.4/intelmpi_2021.1.1-gcc.8.3.0 |
| 量子化学 |
Abinit |
9.4.2 |
/lustre1/software/app/Abinit/9.4.2/intelmpi_2021.1.1-gcc.8.3.0 |
| 量子化学 |
Gaussian |
g09 |
/lustre1/software/app/Gaussian/g09 |
| 气象 |
WRF |
4.3 |
/lustre1/software/app/WRF/4.3/mpich3.4.2-gcc8.3.0 |
| 性能测试软件 |
Linpack |
2.3 |
/lustre1/software/app/Linpack/2.3/intelmpi_2021.1.1-gcc.8.3.0 |
| 性能测试软件 |
STREAM |
2016 |
/lustre1/software/app/STREAM/2016/intelmpi_2021.1.1-gcc.8.3.0 |
| 性能测试软件 |
IMB |
2021.3 |
/lustre1/software/app/IMB/2021.3/intelmpi_2021.1.1-gcc.8.3.0 |
| 性能测试软件 |
IOR |
3.3 |
/lustre1/software/app/IOR/3.3/intelmpi_2021.1.1-gcc.8.3.0 |