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cluster:73 [2023/04/27 19:59]
hmeij07 [LAMMPS CPU/GPU]
cluster:73 [2023/06/14 18:42]
hmeij07 [Miniconda3]
Line 346: Line 346:
 ** 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 
 + 
 +<code> 
 + 
 +/share/apps/CENTOS7/flye/2.9.2/bin/flye --version 
 +2.9.2-b1794 
 + 
 +</code>
  
   * 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
 +
 +</code>
 +
 +For **Lammps** (starrlab) 23April2023, consult install file
 +
 +  *  /share/apps/CENTOS7/lammps/25Apr2023.install
 +  * make yes-ml-pace
 +  * make yes-gpu
 +  * https://pacemaker.readthedocs.io/en/latest/pacemaker/install/
 +
 +<code>
 +
 +# Note: you must add this line to you env
 +export LD_LIBRARY_PATH=/share/apps/CENTOS7/amber/miniconda3/pkgs/cudatoolkit-11.0.221-h6bb024c_0/lib:$LD_LIBRARY_PATH
 +
 +# Note2: had to install 'conda install cudnn' and make two links to higher level libraries (a must not do) for libcudnn.so.8 and libcusolver.so.11
 +
 +[hmeij@greentail52 ~]$ which python
 +/share/apps/CENTOS7/amber/miniconda3/bin/python
 +[hmeij@greentail52 ~]$ pip list | grep tensorflow
 +mesh-tensorflow              0.1.19
 +tensorflow                   2.8.0
 +tensorflow-addons            0.15.0
 +tensorflow-datasets          4.4.0
 +tensorflow-estimator         2.7.0
 +tensorflow-gan               2.1.0
 +tensorflow-hub               0.12.0
 +tensorflow-io-gcs-filesystem 0.32.0
 +tensorflow-metadata          1.4.0
 +tensorflow-probability       0.15.0
 +[hmeij@greentail52 ~]$ which pacemaker
 +/usr/bin/which: no pacemaker in (...failed to install
  
 </code> </code>
Line 2283: Line 2326:
   * notes: /share/apps/CENTOS7/lammps/25Apr2023.install   * notes: /share/apps/CENTOS7/lammps/25Apr2023.install
   * does **not** support openmp, look for the OpenHPC version for that   * 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/pacemaker info
  
 <code> <code>
cluster/73.txt · Last modified: 2024/05/15 12:58 by hmeij07