Dear All,
I have installed Amber20/Tools21 on a Ubuntu 22.04 LTS PC (Dell) with
12 CPUs (Intel® Core™ i7-8700 CPU @ 3.20GHz × 12).
The serial tests went without problems. The MPI install gave some
errors, but was finally installed without errors.
This however gave an error during the "make install" step: “error:
Cannot link MPI programs. Check your configuration!!!”
I found the fix suggested before at
http://archive.ambermd.org/202203/0085.html
This solve to do the install, but would not run the tests (even if I
add the "test -f /home/gert/amber20/amber.sh && source
/home/gert/amber20/amber.sh (sh/bash/zsh)" line to my ~/.bashrc (as
suggested). It complains about Python.
Any help please?
Best wishes
Gert Kruger
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Received on Thu Aug 04 2022 - 13:37:50 PDT
