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--- cluster:73 [2023/04/27 12:58]
hmeij07
+++ cluster:73 [2023/05/24 17:32]
hmeij07 [LAMMPS CPU/GPU]
@@ Line 2282: / Line 2282: @@
   * 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>
@@ Line 2287: / Line 2289: @@
 # 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
+ which mpirun mpicc python gcc
 # CPU + GPU (exx96 queue, may run on test and amber128 queues)
@@ Line 2300: / Line 2305: @@
  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
+>>>

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