cluster:73
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cluster:73 [2020/07/13 18:58] hmeij07 [Mathematica] |
cluster:73 [2020/07/31 19:10] hmeij07 |
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| ====== Software ====== | ====== Software ====== | ||
| + | ** | ||
| + | IMPORTANT NOTE: Since moving to the TrueNAS/ZFS appliance all references to ''/ | ||
| + | |||
| + | --- // | ||
| The listings below will be updated as software is installed, location is / | The listings below will be updated as software is installed, location is / | ||
| Line 14: | Line 18: | ||
| 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 955: | ||
| ====== 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 1265: | ||
| ====== 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 1292: | ||
| ** CPU or GPU ** | ** CPU or GPU ** | ||
| + | |||
| + | * added lmp_mpi-single-single+user-omp | ||
| * / | * / | ||
cluster/73.txt · Last modified: 2024/05/15 12:58 by hmeij07
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