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--- cluster:73 [2020/07/30 19:09]
hmeij07 [EMBOSS]
+++ cluster:73 [2020/10/26 19:29]
hmeij07 [LAMMPS CPU/GPU]
@@ Line 3: / Line 3: @@
 ====== Software ======
+IMPORTANT NOTE: **Since moving to the TrueNAS/ZFS appliance all references to** ''/home/apps'' **should be replaced with** ''/share/apps'' **which points to** ''/zfshomes/apps''
+ --- //[[hmeij@wesleyan.edu|Henk]] 2020/07/31 15:08//
 The listings below will be updated as software is installed, location is /share/apps/ or /home/apps/ (same thing).
@@ Line 1261: / Line 1265: @@
 ====== LAMMPS CPU/GPU ======
+** CPU only OR CPU+GPU**  for ''exx96'' queue - CentOS7
+  * git download of latest did not work (lots of fortran errors?)
+  * latest tarball is still 3Mar2020 (?)
+  * added user-eaxc (but had to remove package python)
+  * please read **/share/apps/CENTOS7/lammps/3Mar2020.install **
+<code>
+# CPU
+/share/apps/CENTOS7/lammps/3Mar2020/lmp_serial+user-omp+user-reaxc
+/share/apps/CENTOS7/lammps/3Mar2020/lmp_mpi+user-omp+user-reaxc
+# CPU+GPU
+/share/apps/CENTOS7/lammps/3Mar2020/lmp_mpi-single-single_kokkos_cuda_mpi+user-omp+user-reaxc
+# env
+ 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
+ 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 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
+</code>
 ** CPU ONLY v2 CentOS7 **

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