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--- cluster:73 [2021/03/16 19:08]
hmeij07 [OpenHPC]
+++ cluster:73 [2021/04/12 19:17]
hmeij07 [LAMMPS CPU/GPU]
@@ Line 1336: / Line 1336: @@
 ====== LAMMPS CPU/GPU ======
+** USER_QUIP **
+This is a version of lammps (29Oct20, last stable) that contains all packages with user-quip.
+It does not compile with MPI, nor ifort in CentOS7, so there is only a "serial" version.
+  * Requires CentOS 7 so queues: mwgpu, amber128, exx96
+Read, if you wish
+  * /share/apps/CENTOS7/lammps/QUIP-public.install
+  * /share/apps/CENTOS7/lammps/29Oct2020.install
+Environments
+<code>
+# serial - cpu only (although quippy compiled, it refused to install)
+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
+# serial - cpu+gpu
+(to come, hopefully)
+</code>
 ** CPU only ** -Centos6

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