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cluster:73 [2023/02/10 14:52]
hmeij07 [OpenHPC] 		cluster:73 [2023/06/01 14:24]
hmeij07 [Sequencing Tools #3]
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 2275: Line 2286:
  
 ====== LAMMPS CPU/GPU ====== ====== LAMMPS CPU/GPU ======
 +
 +** 25Apr2023**
 +
 +  * /share/apps/CENTOS7/lammps/25Arp2023
 +  * lmp_serial and lmp_mpi
 +  * 3 cuda versions with 3 different precision settings
 +  * notes: /share/apps/CENTOS7/lammps/25Apr2023.install
 +  * does **not** support openmp, look for the OpenHPC version for that
 +  * 05/24/2023 remade with package CREATION added
 +
 +<code>
 +
 +# CPU
 +
 + export PATH=/share/apps/CENTOS7/gcc/6.5.0/bin/:$PATH
 + export LD_LIBRARY_PATH=/share/apps/CENTOS7/gcc/6.5.0/lib64:$LD_LIBRARY_PATH
 + export PATH=/share/apps/CENTOS7/python/3.8.3/bin:$PATH
 + export LD_LIBRARY_PATH=/share/apps/CENTOS7/python/3.8.3/lib:$LD_LIBRARY_PATH
 + export PATH=/share/apps/CENTOS7/openmpi/4.0.4/bin:$PATH
 + export LD_LIBRARY_PATH=/share/apps/CENTOS7/openmpi/4.0.4/lib:$LD_LIBRARY_PATH
 + which mpirun mpicc python gcc
 +
 +
 +# CPU + GPU (exx96 queue, may run on test and amber128 queues)
 +
 + export CUDA_HOME=/usr/local/cuda
 + export PATH=/usr/local/cuda/bin:$PATH
 + export LD_LIBRARY_PATH=/usr/local/cuda/lib64:$LD_LIBRARY_PATH
 + export LD_LIBRARY_PATH=/usr/local/cuda/lib:$LD_LIBRARY_PATH
 + which nvcc
 +
 +# related for starrlab
 +# https://pacemaker.readthedocs.io/en/latest/pacemaker/install/
 +
 +[hmeij@cottontail2 ~]$ module load miniconda3/py39
 +[hmeij@cottontail2 ~]$ which pacemaker
 +/share/apps/CENTOS8/ohpc/software/miniconda3/py39/bin/pacemaker
 +[hmeij@cottontail2 ~]$ pacemaker --version
 +pacemaker/pyace version: 0.2.7+77.g8b40c11
 +ace_evaluator   version: 2022.6.27
 +
 +[hmeij@cottontail2 ~]$ python
 +Python 3.9.10 | packaged by conda-forge | (main, Feb  1 2022, 21:24:11) 
 +[GCC 9.4.0] on linux
 +Type "help", "copyright", "credits" or "license" for more information.
 +>>> import pyace as py
 +>>> 
 +
 +
 +</code>
  
 ** USER_QUIP ** ** USER_QUIP **
cluster/73.txt · Last modified: 2024/05/15 12:58 by hmeij07

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