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--- cluster:73 [2023/04/27 14:31]
hmeij07 [LAMMPS CPU/GPU]
+++ cluster:73 [2023/04/27 19:59]
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
 <code>
@@ Line 2287: / Line 2288: @@
 # 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)

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