cluster:73
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cluster:73 [2023/04/27 14:30] hmeij07 [LAMMPS CPU/GPU] |
cluster:73 [2023/06/12 14:02] hmeij07 [LAMMPS CPU/GPU] |
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| ** Flye ** | ** Flye ** | ||
| - | Somewhat annoying, no miniconda3 package, so local install, use minconda3 environment as listed top of this section (python 3.9, gcc 9.2) | + | Somewhat annoying, no miniconda3 package, so local install, use minconda3 environment as listed top of this section (python 3.9, gcc 9.2). Local building (without installation) on centos7 greentail52. |
| + | |||
| + | * v2.9.2 (June 2023) | ||
| + | * python bin/flye | ||
| + | * chnage the PATHS accordingly | ||
| + | |||
| + | < | ||
| + | |||
| + | / | ||
| + | 2.9.2-b1794 | ||
| + | |||
| + | </ | ||
| * v2.9.1 (October 2022) | * v2.9.1 (October 2022) | ||
| Line 719: | Line 730: | ||
| 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 | ||
| + | |||
| + | </ | ||
| + | |||
| + | For **Lammps** (starrlab) 23April2023, | ||
| + | |||
| + | * / | ||
| + | * make yes-ml-pace | ||
| + | * make yes-gpu | ||
| + | * https:// | ||
| + | |||
| + | < | ||
| + | |||
| + | [hmeij@greentail52 ~]$ which python | ||
| + | / | ||
| + | [hmeij@greentail52 ~]$ pip list | grep tensorflow | ||
| + | mesh-tensorflow | ||
| + | tensorflow | ||
| + | tensorflow-addons | ||
| + | tensorflow-datasets | ||
| + | tensorflow-estimator | ||
| + | tensorflow-gan | ||
| + | tensorflow-hub | ||
| + | tensorflow-io-gcs-filesystem 0.32.0 | ||
| + | tensorflow-metadata | ||
| + | tensorflow-probability | ||
| + | [hmeij@greentail52 ~]$ which pacemaker | ||
| + | / | ||
| </ | </ | ||
| Line 2282: | Line 2320: | ||
| * 3 cuda versions with 3 different precision settings | * 3 cuda versions with 3 different precision settings | ||
| * notes: / | * notes: / | ||
| + | * does **not** support openmp, look for the OpenHPC version for that | ||
| + | * 05/24/2023 remade with package CREATION added | ||
| + | * also read miniconda3 section for tensorflow/ | ||
| < | < | ||
| Line 2287: | Line 2328: | ||
| # CPU | # CPU | ||
| + | | ||
| + | | ||
| | | ||
| | | ||
| | | ||
| | | ||
| - | which mpirun mpicc python | + | which mpirun mpicc python |
| # CPU + GPU (exx96 queue, may run on test and amber128 queues) | # CPU + GPU (exx96 queue, may run on test and amber128 queues) | ||
| Line 2302: | Line 2346: | ||
| # related for starrlab | # related for starrlab | ||
| + | # https:// | ||
| [hmeij@cottontail2 ~]$ module load miniconda3/ | [hmeij@cottontail2 ~]$ module load miniconda3/ | ||
cluster/73.txt · Last modified: 2024/05/15 12:58 by hmeij07
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