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--- exercises:2018_uzh_cmest:path_optimization_neb [2018/10/23 14:07] – [Path optimization using NEB] abussy
+++ exercises:2018_uzh_cmest:path_optimization_neb [2018/10/23 15:52] – [Vibrational analysis] abussy
@@ Line 173: / Line 173: @@
 </code>
-Note the use of ''mpirun -np 4'' together with the cp2k.popt executable. This tells the machine to run it using the MPI parallelization system on 4 cores, which should speed up your calculations. The prefix ''nohup'' lets the command continue even if you log out and the ampersand ''&'' makes it run in the background. Remember that tcopt2 is shared among you and that there is only a limited number of cores. You can use the command "top" to check if there are enough cores available for your calculation.
+Note the use of ''mpirun -np 4'' together with the cp2k.popt executable. This tells the machine to run it using the MPI parallelization system on 4 cores, which should speed up your calculations. The prefix ''nohup'' lets the command continue even if you log out and the ampersand ''&'' makes it run in the background. Remember that tcopt2 is shared among you and that there is only a limited number of cores. Before launching, you can use the command ''top'' to check if there are enough cores available for your calculation.
 This may take a couple of hours. Continue with the exercises below once the calculation finishes.
@@ Line 307: / Line 307: @@
 $ molden ethane_TS_va-VIBRATIONS-1.mol
 </code>
+<note important>Molden is currently not available on tcopt2, it should be fixed soon. Sorry for the inconvenience.</note>
 Click the //Norm. Mode// checkbox in the //Molden Control// window to list all the modes. What is the lowest frequency you get? By clicking on it you can visualize it.