cluster:215
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cluster:215 [2025/01/15 16:20] hmeij07 |
cluster:215 [2025/02/06 15:11] (current) hmeij07 [AutoDock-GPU] |
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| 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 $PATH via ''/ | ||
| - | * sharptail2 and cottontail2 for debugging | + | * <del>sharptail2 and cottontail2 for debugging</ |
| - | * tinymem (n64-n59) | + | * tinymem (n46-n59) |
| - | * mw128 (n60-n78) | + | * mw128 (n60-n77) |
| * amber128 (n78) | * amber128 (n78) | ||
| - | * test (n100-n101) | + | * test (n100-n101) |
| * mw256 (n102-n107) | * mw256 (n102-n107) | ||
| * mwgpu256 (n108-n117) | * mwgpu256 (n108-n117) | ||
| Line 34: | Line 39: | ||
| [hmeij@cottontail2 ~]$ magma -h | [hmeij@cottontail2 ~]$ magma -h | ||
| Usage: magma [-d] [-l limit] [-b] [-n] [-s startfile] [-S seed] [-r workspace] [-c package] [-e|-E commands] [filelist] | 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/215.1736958045.txt.gz · Last modified: 2025/01/15 16:20 by hmeij07
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