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exercise:infra_red [2014/05/09 09:39] – dpasseroneexercise:2014_ethz_mmm:infra_red [2014/10/15 13:34] – oschuett
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 <note tip> <note tip>
 You should run these calculations on 16 nodes with ''bsub -n 16'', particularly the vibrational spectrum.  You should run these calculations on 16 nodes with ''bsub -n 16'', particularly the vibrational spectrum. 
-Copy, as usual, the files from the directory **/cluster/home03/matl/danielep/LECTURE10/EXERCISE_10.1** (and later here on the media manager). +Download, as usual, the **commented** files from the wiki {{exercise_10.1.tar.gz|}}.
 </note> </note>
  
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 &END &END
 </code> </code>
 +
 +<note warning>The ** .mol ** file for c6h6 is already there, since the job is quite long. However, if you plan to run it (maybe after the methanol case) remember to add the option to ask for more wallclock time ** -W HH:MM ** to bsub.
 +</note>
 +
 <note warning> <note warning>
 NPROC_REP has to be the same number of processors as in the bsub!! Edit the input!! NPROC_REP has to be the same number of processors as in the bsub!! Edit the input!!
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 ===== Additional Files ===== ===== Additional Files =====
 Download the following file into your project directory: Download the following file into your project directory:
-  * {{:exercise:dftb_params.tgz|}}+  * {{dftb_params.tgz|}}
  
 You can unpack it with the following command: You can unpack it with the following command:
exercises/2014_ethz_mmm/infra_red.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1