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exercises:2015_ethz_mmm:index [2015/02/06 18:05] oschuettexercises:2015_ethz_mmm:index [2016/02/03 10:09] – old revision restored oschuett
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   - [[nudged_elastic_band|Nudged Elastic Band]]   - [[nudged_elastic_band|Nudged Elastic Band]]
  
-===== Lecture 2 (tentative) =====+===== Lecture 2 =====
   - [[c2h2_bond_energy|Bond Strength in a molecule]]   - [[c2h2_bond_energy|Bond Strength in a molecule]]
   - [[alanine_dipeptide|Alanine dipeptide: Ramachandran plot]]   - [[alanine_dipeptide|Alanine dipeptide: Ramachandran plot]]
   - [[alanine_modify|Alanine dipeptide: Modifying the parameters of the force field]]   - [[alanine_modify|Alanine dipeptide: Modifying the parameters of the force field]]
  
-===== Lecture 3 (tentative) =====+===== Lecture 3 =====
   - [[surface_Cu|surface energy of Cu(111), Cu(110), Cu(100) and Wulff plot]]   - [[surface_Cu|surface energy of Cu(111), Cu(110), Cu(100) and Wulff plot]]
   - [[surface_Au|surface energy of Au(110): perfect and reconstructed and other faces]]   - [[surface_Au|surface energy of Au(110): perfect and reconstructed and other faces]]
  
-===== Lecture 4 (tentative) =====+===== Lecture 4 =====
   - [[MD_ala|Molecular dynamics of alanine dipeptide]]   - [[MD_ala|Molecular dynamics of alanine dipeptide]]
   - [[MD_slab|Molecular dynamics of Au 100 slab]]   - [[MD_slab|Molecular dynamics of Au 100 slab]]
Line 57: Line 57:
   - [[nacl_free_energy | Free Energy Profile of NaCl Dissociation ]]   - [[nacl_free_energy | Free Energy Profile of NaCl Dissociation ]]
  
-====== Brutus Cheat Sheet ======+====== Euler Cheat Sheet ====== 
 +For more information have a look at the [[http://www.clusterwiki.ethz.ch/brutus/Getting_started_with_Euler | cluster-wiki]]. 
 <code> <code>
-you@brutusX ~$ module load new cp2k/trunk.13711 +you@eulerX ~$ module load new cp2k vmd 
-you@brutusX ~$ bsub -n 1 mpirun cp2k.popt -i energy.inp -o energy.out +you@eulerX ~$ bsub -n 1 mpirun cp2k.popt -i energy.inp -o energy.out 
-you@brutusX ~$ bjobs+you@eulerX ~$ bjobs
 JOBID      USER    STAT  QUEUE      FROM_HOST   EXEC_HOST   JOB_NAME   SUBMIT_TIME JOBID      USER    STAT  QUEUE      FROM_HOST   EXEC_HOST   JOB_NAME   SUBMIT_TIME
-52338697   you     RUN   pub.1h     brutus1     a9042       *-o O2.out Mar 27 16:00 +2955028    you     PEND  beta.4h    euler02                 *nergy.out Feb 12 14:21 
-you@brutusX ~$ bkill 52338697 +you@eulerX ~$ bkill 2955028 
-Job <52338697> is being terminated+Job <2955028> is being terminated
 </code> </code>
  
-<note tip>Connecting to Brutus from a Windows machine: install+<note tip>Connecting to Euler from a Windows machine: install
   * putty [[http://the.earth.li/~sgtatham/putty/latest/x86/putty.exe]]   * putty [[http://the.earth.li/~sgtatham/putty/latest/x86/putty.exe]]
   * xming [[http://sourceforge.net/projects/xming/files/latest/download]]   * xming [[http://sourceforge.net/projects/xming/files/latest/download]]
   * winscp [[http://winscp.net/download/winscp551setup.exe]]   * winscp [[http://winscp.net/download/winscp551setup.exe]]
 </note> </note>
 +
 +
exercises/2015_ethz_mmm/index.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1