wiki.chpc.ac.za

User Tools

Site Tools

You are here: start » howto » atat
Trace:
howto:atat

Differences

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

Link to this comparison view

Both sides previous revision Previous revision
Next revision 		Previous revision
howto:atat [2018/01/11 14:46]
alopis 		howto:atat [2021/12/09 16:42] (current)
Line 2: Line 2:
  
  
 +[[http://www.brown.edu/Departments/Engineering/Labs/avdw/atat/]]
  
-This describes the use of ATAT which employs QE (Quantum Espresso 6.1.0).  Anton Lopis  11 Jan 2017+ 
 +This describes the use of ATAT on Lengau and employs QE (Quantum Espresso 6.1.0).  Anton Lopis  11 Jan 2017
  
 Please find the files at   **/apps/chpc/chem/ATAT/3.36/CHPC_Running** including pbs submission/bash script and input files (see below as well). Please find the files at   **/apps/chpc/chem/ATAT/3.36/CHPC_Running** including pbs submission/bash script and input files (see below as well).
Line 26: Line 28:
  
 ===== One needs to edit the pbs submit script file maps.pbs appropriately: ===== ===== One needs to edit the pbs submit script file maps.pbs appropriately: =====
 +
  
  
Line 71: Line 74:
 #PBS -m be #PBS -m be
 #PBS -M none #PBS -M none
-#PBS -o /mnt/lustre/users/alopis/ATAT_testing/out  +#PBS -o /mnt/lustre/users/alopis/ATAT_testing.out  
-#PBS -e /mnt/lustre/users/alopis/ATAT_testing/error+#PBS -e /mnt/lustre/users/alopis/ATAT_testing.error
 #PBS #PBS
  
/app/dokuwiki/data/attic/howto/atat.1515674806.txt.gz · Last modified: 2021/12/09 16:42 (external edit)

Page Tools

Except where otherwise noted, content on this wiki is licensed under the following license: CC Attribution-Noncommercial-Share Alike 3.0 Unported
CC Attribution-Noncommercial-Share Alike 3.0 Unported Donate Powered by PHP Valid HTML5 Valid CSS Driven by DokuWiki