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cluster:73 [2022/11/07 18:57] hmeij07 [Miniconda3] |
cluster:73 [2023/04/27 12:57] hmeij07 old revision restored (2023/04/26 16:20) |
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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 / | ||
+ | |||
+ | |||
+ | |||
+ | ====== Trimmomatic ====== | ||
+ | |||
+ | * http:// | ||
+ | * binary download and stage | ||
+ | * java -jar trimmomatic-0.39.jar ... | ||
+ | |||
+ | < | ||
+ | |||
+ | / | ||
+ | [root@cottontail Trimmomatic-0.39]# | ||
+ | total 176 | ||
+ | drwxr-xr-x 2 root root 8 Apr 8 2019 adapters | ||
+ | -rw-r--r-- 1 root root 35147 May 16 2018 LICENSE | ||
+ | -rw-r--r-- 1 root root 128502 Apr 8 2019 trimmomatic-0.39.jar | ||
+ | |||
+ | </ | ||
Line 688: | Line 707: | ||
IQ-TREE multicore version 2.0.3 for Linux 64-bit built Dec 20 2020 | IQ-TREE multicore version 2.0.3 for Linux 64-bit built Dec 20 2020 | ||
- | # https:// | + | |
- | # calterlab, annika | + | </ |
+ | |||
+ | * https:// | ||
+ | | ||
+ | |||
+ | < | ||
Successfully installed | Successfully installed | ||
Line 695: | Line 719: | ||
fasteners-0.18 mmtf-python-1.1.3 | fasteners-0.18 mmtf-python-1.1.3 | ||
mrcfile-1.4.3 msgpack-1.0.4 numpy-1.23.4 | mrcfile-1.4.3 msgpack-1.0.4 numpy-1.23.4 | ||
+ | |||
</ | </ | ||
Line 763: | Line 788: | ||
-rw-r--r-- 1 root root 10720 Mar 17 09:35 ohpc-release-2-1.el8.x86_64.rpm | -rw-r--r-- 1 root root 10720 Mar 17 09:35 ohpc-release-2-1.el8.x86_64.rpm | ||
-rw-r--r-- 1 root root 8531681280 Mar 17 09:33 OpenHPC-2.4.EL_8.x86_64.tar | -rw-r--r-- 1 root root 8531681280 Mar 17 09:33 OpenHPC-2.4.EL_8.x86_64.tar | ||
+ | |||
+ | |||
+ | |||
+ | # this is all that is needed for ohpc base compute client | ||
+ | # see the recipe for cct2 and follow compute node only ingredients | ||
+ | |||
+ | [root@cottontail2 ~]# ll / | ||
+ | total 95196 | ||
+ | -rw-r--r-- 1 root root 2696360 Feb 10 09:21 hwloc-ohpc-2.7.0-3.9.ohpc.2.6.x86_64.rpm | ||
+ | -rw-r--r-- 1 root root | ||
+ | -rw-r--r-- 1 root root 7268 Feb 10 09:22 ohpc-base-compute-2.6.1-5.1.ohpc.2.6.1.x86_64.rpm | ||
+ | -rw-r--r-- 1 root root 8204 Feb 10 09:23 ohpc-filesystem-2.6-2.3.ohpc.2.6.noarch.rpm | ||
+ | -rw-r--r-- 1 root root 10720 Feb 10 09:23 ohpc-release-2-1.el8.x86_64.rpm | ||
+ | -rw-r--r-- 1 root root 7124 Feb 10 09:27 ohpc-slurm-client-2.6.1-5.1.ohpc.2.6.1.x86_64.rpm | ||
+ | -rw-r--r-- 1 root root 74326532 Feb 10 09:23 singularity-ohpc-3.7.1-5.1.ohpc.2.1.x86_64.rpm | ||
+ | -rw-r--r-- 1 root root 22168 Feb 10 09:24 slurm-contribs-ohpc-22.05.2-14.1.ohpc.2.6.x86_64.rpm | ||
+ | -rw-r--r-- 1 root root | ||
+ | -rw-r--r-- 1 root root 18764472 Feb 10 09:24 slurm-ohpc-22.05.2-14.1.ohpc.2.6.x86_64.rpm | ||
+ | -rw-r--r-- 1 root root | ||
+ | -rw-r--r-- 1 root root | ||
</ | </ | ||
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====== LAMMPS CPU/GPU ====== | ====== LAMMPS CPU/GPU ====== | ||
+ | |||
+ | ** 25Apr2023** | ||
+ | |||
+ | * / | ||
+ | * lmp_serial and lmp_mpi | ||
+ | * 3 cuda versions with 3 different precision settings | ||
+ | * notes: / | ||
+ | |||
+ | < | ||
+ | |||
+ | # CPU | ||
+ | |||
+ | | ||
+ | | ||
+ | | ||
+ | | ||
+ | which mpirun mpicc python | ||
+ | |||
+ | # CPU + GPU (exx96 queue, may run on test and amber128 queues) | ||
+ | |||
+ | | ||
+ | | ||
+ | | ||
+ | | ||
+ | which nvcc | ||
+ | |||
+ | |||
+ | </ | ||
** USER_QUIP ** | ** USER_QUIP ** |