Differences

This shows you the differences between two versions of the page.

--- cluster:73 [2021/03/16 18:39]
hmeij07 [OneAPI]
+++ cluster:73 [2021/04/12 19:26]
hmeij07 [LAMMPS CPU/GPU]
@@ Line 21: / Line 21: @@
 ====== OpenHPC ======
-So I remeber where I put the repos ''/share/apps/src/greentail/openhpc''
+So I remember where I put the repos ''/share/apps/src/greentail52/openhpc''
   * whitetail tar ball for centos7/warewulf (no slurm)
   * http://repos.openhpc.community/OpenHPC/2.0RC1/CentOS_8/x86_64/
-  *
+  * http://repos.openhpc.community/ohpc-1.3/1.3.9/base/CentOS_7/x86_64/
+  * https://github.com/warewulf/warewulf3 (master git zip file)
 ====== OneAPI ======
@@ Line 1335: / 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)
+# MPI STUBS is compiled in
+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
+/share/apps/CENTOS7/lammps/29Oct2020/lmp_serial-with-quip.cpu
+# serial - cpu+gpu
+(to come, hopefully)
+</code>
 ** CPU only ** -Centos6

DokuWiki