Differences

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

--- cluster:214 [2022/08/03 09:13]
hmeij07 [Amber22]
+++ cluster:214 [2022/08/03 10:05]
hmeij07
@@ Line 531: / Line 531: @@
 </code>
-** Example script run.centos for cpui or gpu run** (queues mwgpu, exx96)
+** Example script run.centos for cpus or gpu run** (queues mwgpu, exx96)
 <code>
@@ 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-# treat your module cache as out of date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 674: / Line 658: @@
 </code>
-First establish a success full run with the **run.centos** script for Amber20 (listed above). Then edit the  script and apply these edits. We had to use a specific compatible ''gcc/g++'' version to make this work. Hardware is getting too old.
+First establish a successful run with the **run.rocky** script for Amber20 (listed above). Then change the module in your script. (for queues amber128 [n78] and test [n100-n101] for gpus and mw128 and tinymem for cpus)
+<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+# treat your module cache as out of date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>
+First establish a success full run with the **run.centos** script for Amber20 (listed above, for cpus or gpus on queues mwgpu and exx96).
+Then edit the  script and apply these edits. We had to use a specific compatible ''gcc/g++'' version to make this work. Hardware is getting too old.
 <code>

DokuWiki

User Tools

Site Tools

Differences

Page Tools