cluster:73
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cluster:73 [2020/07/30 19:09] hmeij07 [EMBOSS] |
cluster:73 [2021/03/01 17:08] hmeij07 [Software] |
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| ====== Software ====== | ====== Software ====== | ||
| + | |||
| + | IMPORTANT NOTE: **Since moving to the TrueNAS/ZFS appliance all references to** ''/ | ||
| + | |||
| + | --- // | ||
| The listings below will be updated as software is installed, location is / | The listings below will be updated as software is installed, location is / | ||
| Line 14: | 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 212: | 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 1261: | Line 1288: | ||
| ====== LAMMPS CPU/GPU ====== | ====== LAMMPS CPU/GPU ====== | ||
| + | |||
| + | ** 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?) | ||
| + | * latest tarball is still 3Mar2020 (?) | ||
| + | * added user-eaxc (but had to remove package python) | ||
| + | * " | ||
| + | * please read **/ | ||
| + | |||
| + | < | ||
| + | |||
| + | # CPU | ||
| + | / | ||
| + | / | ||
| + | |||
| + | # CPU+GPU | ||
| + | / | ||
| + | |||
| + | # env | ||
| + | |||
| + | | ||
| + | | ||
| + | | ||
| + | | ||
| + | |||
| + | | ||
| + | | ||
| + | | ||
| + | | ||
| + | |||
| + | </ | ||
| ** CPU ONLY v2 CentOS7 ** | ** CPU ONLY v2 CentOS7 ** | ||
| Line 2213: | Line 2278: | ||
| ====== 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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