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cluster:73 [2020/10/26 19:27] hmeij07 [LAMMPS CPU/GPU] |
cluster:73 [2020/12/14 14:42] hmeij07 old revision restored (2020/12/02 13:54) |
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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 ===== | ||
+ | |||
+ | * Installed as package ins OS on all nodes | ||
+ | * v2.5.2 | ||
+ | * dmctp_launch ... etc | ||
====== EMBOSS ====== | ====== EMBOSS ====== | ||
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====== 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 **/ | ||
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| | ||
- | < | + | </code> |
** CPU ONLY v2 CentOS7 ** | ** CPU ONLY v2 CentOS7 ** |