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 [2024/11/01 15:55] hmeij07 [AutoDock-GPU] |
cluster:215 [2025/02/06 15:11] (current) hmeij07 [AutoDock-GPU] |
||
|---|---|---|---|
| Line 13: | Line 13: | ||
| https:// | https:// | ||
| + | |||
| + | ===== ChimeraX ===== | ||
| + | |||
| + | * https:// | ||
| + | * installed on sharptail2 | ||
| + | |||
| + | ===== Magma ===== | ||
| + | |||
| + | * https:// | ||
| + | * 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 $PATH via ''/ | ||
| + | * < | ||
| + | * tinymem (n46-n59) | ||
| + | * mw128 (n60-n77) | ||
| + | * amber128 (n78) | ||
| + | * test (n100-n101) use for interactive short debug runs or production jobs | ||
| + | * mw256 (n102-n107) | ||
| + | * mwgpu256 (n108-n117) | ||
| + | |||
| + | < | ||
| + | |||
| + | [hmeij@cottontail2 ~]$ which magma | ||
| + | / | ||
| + | |||
| + | [hmeij@cottontail2 ~]$ magma -h | ||
| + | Usage: magma [-d] [-l limit] [-b] [-n] [-s startfile] [-S seed] [-r workspace] [-c package] [-e|-E commands] [filelist] | ||
| + | |||
| + | export MAGMAPASSFILE=/ | ||
| + | export MAGMA_SYSTEM_SPEC=/ | ||
| + | |||
| + | [root@n103 ~]# magma | ||
| + | Magma V2.28-16 | ||
| + | |||
| + | +-------------------------------------------------------------------+ | ||
| + | | This copy of Magma has been made available through a | | ||
| + | | | ||
| + | | | | ||
| + | | | ||
| + | | | | ||
| + | | covering U.S. Colleges, Universities, | ||
| + | | and their students, faculty, and staff | | ||
| + | +-------------------------------------------------------------------+ | ||
| + | |||
| + | Type ? for help. Type < | ||
| + | > | ||
| + | |||
| + | |||
| + | </ | ||
| ===== AutoDock-GPU ===== | ===== AutoDock-GPU ===== | ||
| + | |||
| + | * cuda-12.6 only added | ||
| + | * mwgpu256 queue | ||
| + | * gcc 9 needed for openmp | ||
| + | * module load autodock/ | ||
| + | * / | ||
| * https:// | * https:// | ||
cluster/215.1730476508.txt.gz ยท Last modified: 2024/11/01 15:55 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
