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cluster:214 [2022/08/02 18:21] hmeij07 [Amber20] |
cluster:214 [2022/08/02 18:25] hmeij07 [Amber22] |
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==== Amber22 ==== | ==== Amber22 ==== | ||
- | First establish a successfull run with the '' | + | First establish a successfull run with the **run.rocky** script for Amber20 (listed above). Then change the module in your script. |
< | < | ||
Line 673: | Line 673: | ||
</ | </ | ||
+ | First establish a successfull run with the **run.centos7** script for Amber20 (listed above). Then change the script like so. | ||
+ | < | ||
+ | |||
+ | # comment out the 2 export lines pointing to openmpi | ||
+ | # mpi is setup by sourcing the amber.sh file | ||
+ | |||
+ | |||
+ | </ | ||
\\ | \\ |