This shows you the differences between two versions of the page.
Both sides previous revision Previous revision Next revision | Previous revision Next revision Both sides next revision | ||
cluster:73 [2020/07/13 18:58] hmeij07 [Mathematica] |
cluster:73 [2020/07/30 19:08] hmeij07 [Sequencing Tools #2] |
||
---|---|---|---|
Line 14: | Line 14: | ||
on either cottontail2 or node n33 located at / | on either cottontail2 or node n33 located at / | ||
Some compilations require 7.x and are in / | Some compilations require 7.x and are in / | ||
+ | |||
+ | ====== EMBOSS ====== | ||
+ | |||
+ | * / | ||
+ | * / | ||
+ | * https:// | ||
+ | * jfabry/ | ||
====== Sequencing Tools #2 ====== | ====== Sequencing Tools #2 ====== | ||
Line 944: | Line 951: | ||
====== Gromacs ===== | ====== Gromacs ===== | ||
- | Gromacs-2018 for GPU (RTX2080) | + | Gromacs-2020.3 for GPU (RTX2080S) |
+ | * '' | ||
+ | * see / | ||
+ | * change env in script below | ||
+ | |||
+ | Gromacs-2018 for GPU (RTX2080S) | ||
* '' | * '' | ||
* **/ | * **/ | ||
Line 1249: | Line 1261: | ||
====== LAMMPS CPU/GPU ====== | ====== LAMMPS CPU/GPU ====== | ||
+ | |||
+ | ** CPU ONLY v2 CentOS7 ** | ||
+ | |||
+ | * add user-opm on next compile ... done ... binaries with string +user-omp | ||
+ | * / | ||
+ | * lmp_serial, lmp_mpi | ||
+ | * //latest// openmpi version as of today v4.0.4 | ||
+ | * consult this file for packages installed and compilations | ||
+ | * / | ||
+ | * should work only on exx96 and mwgpu queues | ||
+ | |||
+ | < | ||
+ | | ||
+ | | ||
+ | </ | ||
** CPU ONLY ** | ** CPU ONLY ** | ||
Line 1261: | Line 1288: | ||
** CPU or GPU ** | ** CPU or GPU ** | ||
+ | |||
+ | * added lmp_mpi-single-single+user-omp | ||
* / | * / |