cluster:73
Differences
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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 [2020/10/26 19:27] hmeij07 [LAMMPS CPU/GPU] |
cluster:73 [2021/03/03 18:21] hmeij07 [Matlab] |
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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 / | ||
| + | |||
| + | ====== Rstudio ====== | ||
| + | |||
| + | * http:// | ||
| + | * https:// | ||
| + | * centos7 R v 3.6.0 | ||
| + | * use your HPC username and credentials | ||
| + | |||
| + | ====== 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 234: | ||
| * 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 1070: | Line 1093: | ||
| [[https:// | [[https:// | ||
| - | * program: mcc, math, mathematica (v 12.1) | + | * program: mcc, math, mathematica (v 12.2) |
| - | * install dir: / | + | * install dir: / |
| * docs: on the web | * docs: on the web | ||
| * www: http:// | * www: http:// | ||
| - | * Campus wide license, use any queue. | + | * Centos7, use queues mwgpu, amber128 or exx96 |
| + | * For GUI launch on greentail52 | ||
| * Parallel kernels | * Parallel kernels | ||
| Line 1266: | Line 1290: | ||
| ====== LAMMPS CPU/GPU ====== | ====== LAMMPS CPU/GPU ====== | ||
| - | ** CPU only OR CPU+GPU for '' | + | ** CPU only ** -Centos6 |
| + | * / | ||
| + | * read for env and compilation env: lmp_mpi | ||
| + | |||
| + | ** CPU only OR CPU+GPU** | ||
| + | |||
| + | * 3Mar2020 added USER-REAXC | ||
| + | * For KOKKOS MPI aware version | ||
| * git download of latest did not work (lots of fortran errors?) | * git download of latest did not work (lots of fortran errors?) | ||
| * latest tarball is still 3Mar2020 (?) | * latest tarball is still 3Mar2020 (?) | ||
| * added user-eaxc (but had to remove package python) | * added user-eaxc (but had to remove package python) | ||
| + | * " | ||
| * please read **/ | * please read **/ | ||
| Line 1294: | Line 1326: | ||
| | | ||
| - | < | + | </code> |
| ** CPU ONLY v2 CentOS7 ** | ** CPU ONLY v2 CentOS7 ** | ||
| Line 2247: | Line 2279: | ||
| ====== 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 ** | ||
| Line 3010: | Line 3055: | ||
| * program: Matlab, link to binary is ' | * program: Matlab, link to binary is ' | ||
| - | * R2020a, campus wide license so no more restrictions on licenses | + | * R2020b, campus wide license so no more restrictions on licenses |
| * No Distributed Computing Engine or Matlab Parallel (for now) | * No Distributed Computing Engine or Matlab Parallel (for now) | ||
| - | * install dir: / | + | * install dir: / |
| * docs & www: http:// | * docs & www: http:// | ||
| + | * CentOS7 required use on queues mwgpu, amber128 and exx96 | ||
| + | * For GUI launch on greentail52 | ||
| Note: | Note: | ||
cluster/73.txt · Last modified: 2024/05/15 12:58 by hmeij07
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