cluster:73
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| Both sides previous revision Previous revision Next revision | Previous revision Next revision Both sides next revision | ||
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cluster:73 [2020/10/27 19:21] hmeij07 [LAMMPS CPU/GPU] |
cluster:73 [2021/02/18 19:42] hmeij07 [Python3] |
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| Line 18: | 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 / | ||
| + | |||
| + | ====== DMTCP ===== | ||
| + | |||
| + | * / | ||
| + | * this came from the CRAC source, trying to install gpu checkpoint tool | ||
| + | * [[cluster: | ||
| + | * but plugin will not compile, checking with developers 12 Dec 2020 | ||
| + | |||
| + | * Installed as package ins OS on all nodes | ||
| + | * v2.5.2 | ||
| + | * dmctp_launch ... etc | ||
| ====== EMBOSS ====== | ====== EMBOSS ====== | ||
| Line 216: | Line 227: | ||
| * most packages found on this page | * most packages found on this page | ||
| * picked up mpirun from miniconda2 apps (that may be a problem) | * picked up mpirun from miniconda2 apps (that may be a problem) | ||
| + | |||
| + | * Added to 3.8.3 " | ||
| + | * https:// | ||
| + | |||
| + | --- // | ||
| < | < | ||
| Line 1265: | Line 1281: | ||
| ====== LAMMPS CPU/GPU ====== | ====== LAMMPS CPU/GPU ====== | ||
| + | |||
| + | ** CPU only ** -Centos6 | ||
| + | |||
| + | * / | ||
| + | * read for env and compilation env: lmp_mpi | ||
| ** CPU only OR CPU+GPU** | ** CPU only OR CPU+GPU** | ||
| Line 2250: | Line 2271: | ||
| ====== Amber ====== | ====== Amber ====== | ||
| + | |||
| + | ** Amber 20 ** | ||
| + | |||
| + | * Two versions compiled, | ||
| + | * one for cuda 8.0/mpich3 for queue amber128 | ||
| + | * one for queues mwgpu and exx96 (cuda 9.2/ | ||
| + | |||
| + | * Consult the run.amber20 script to set up environment | ||
| + | * / | ||
| + | |||
| + | * Both are installed in / | ||
| + | |||
| + | |||
| ** AMBER 18 ** | ** AMBER 18 ** | ||
cluster/73.txt ยท Last modified: 2024/05/15 12:58 by hmeij07
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