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--- howto:atat [2018/01/11 14:47]
alopis [One needs to edit the pbs submit script file maps.pbs appropriately:]
+++ 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).
@@ Line 72: / Line 74: @@
 #PBS -m be
 #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

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