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--- cluster:214 [2022/08/03 09:13]
hmeij07 [Amber22]
+++ cluster:214 [2022/08/03 09:59]
hmeij07 [Amber22]
@@ Line 641: / Line 641: @@
 ==== Amber22 ====
-First establish a successful run with the **run.rocky** script for Amber20 (listed above). Then change the module in your script.
-<code>
-module load amber/22
-# if the module does not show up in the output of your console
-module avail
-# treat your module cache as out of date
-module --ignore_cache avail
-</code>
 Amber22 is somehow incompatible with CentOS/Rocky openmpi (yum install). Hence the latest version of openmpi was compiled and installed into $AMBERHOME. No need to set PATHs, just be sure to source amber.sh in your script. (compile instructions below for me...)
@@ Line 671: / Line 655: @@
 /share/apps/CENTOS7/amber/amber22/bin/mpirun
 /share/apps/CENTOS7/amber/amber22/bin/mpicc
+</code>
+First establish a successful run with the **run.rocky** script for Amber20 (listed above). Then change the module in your script.
+<code>
+module load amber/22
+# if the module does not show up in the output of your console
+module avail
+# treat your module cache as out of date
+module --ignore_cache avail
 </code>

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