cluster:215
Differences
This shows you the differences between two versions of the page.
| Both sides previous revision Previous revision Next revision | Previous revision | ||
|
cluster:215 [2025/01/15 20:30] hmeij07 [Magma] |
cluster:215 [2025/02/06 15:11] (current) hmeij07 [AutoDock-GPU] |
||
|---|---|---|---|
| Line 13: | Line 13: | ||
| https:// | https:// | ||
| + | |||
| + | ===== ChimeraX ===== | ||
| + | |||
| + | * https:// | ||
| + | * installed on sharptail2 | ||
| ===== Magma ===== | ===== Magma ===== | ||
| Line 19: | Line 24: | ||
| * Magma is a large, well-supported software package designed for computations in algebra, number theory, algebraic geometry, and algebraic combinatorics. | * Magma is a large, well-supported software package designed for computations in algebra, number theory, algebraic geometry, and algebraic combinatorics. | ||
| * The binary is linked into $PATH via ''/ | * The binary is linked into $PATH via ''/ | ||
| - | * sharptail2 and cottontail2 for debugging | + | * <del>sharptail2 and cottontail2 for debugging</ |
| * tinymem (n46-n59) | * tinymem (n46-n59) | ||
| * mw128 (n60-n77) | * mw128 (n60-n77) | ||
| * amber128 (n78) | * amber128 (n78) | ||
| - | * test (n100-n101) | + | * test (n100-n101) |
| * mw256 (n102-n107) | * mw256 (n102-n107) | ||
| * mwgpu256 (n108-n117) | * mwgpu256 (n108-n117) | ||
| Line 36: | Line 41: | ||
| export MAGMAPASSFILE=/ | export MAGMAPASSFILE=/ | ||
| + | export MAGMA_SYSTEM_SPEC=/ | ||
| [root@n103 ~]# magma | [root@n103 ~]# magma | ||
| Line 57: | Line 63: | ||
| ===== AutoDock-GPU ===== | ===== AutoDock-GPU ===== | ||
| + | |||
| + | * cuda-12.6 only added | ||
| + | * mwgpu256 queue | ||
| + | * gcc 9 needed for openmp | ||
| + | * module load autodock/ | ||
| + | * / | ||
| * https:// | * https:// | ||
cluster/215.1736973004.txt.gz ยท Last modified: 2025/01/15 20:30 by hmeij07
Page Tools
Except where otherwise noted, content on this wiki is licensed under the following license: CC Attribution-Share Alike 4.0 International
