[Pw_forum] quantum-espresso RPMS in Fedora/EPEL

[Filippo SPIGA]

On Jan 26, 2016, at 1:42 PM, Marcin Dulak <marcin.dulak at gmail.com> wrote:
> 3. it would be convenient if the pseudos used by the test-suite are provided as a separate tarball on downloads.

test-suite is a separate tar.gz in 5.3.0. it is a recently introduced "feature", still in progress. 


> 4. it seems like parallel make did not work (make -j), when trying the 5.2.1 version.
> Please help to clarify this.

Well... if something is broken in the previous 5.2.1 the only thing we can do is make sure in the future versions the problem is solved.


> 5. a minor detail in test-suite/run-*.sh scripts: they should use source instead of include:
> sed -i "s#include #source #" test-suite/run-cp.sh
> sed -i "s#include #source #" test-suite/run-pw.sh

But if I do that then test-suite stops working. I need to change as well what is in the file ENVIRONMENT. At the moment it is safe to keep include, it works...


> 6. there are some tests failures, e.g. on EPEL6 x86_64, with openmpi 171 out of 197 tests passed (2 unknown):
> https://kojipkgs.fedoraproject.org//work/tasks/8858/12648858/build.log
> Search for the first occurence of "171" in this file.
> Some of these seem to be related to vdw part, maybe the files the presence of
> which is assumed for the tests are not created properly?

Those 2 "unknown" are due to the fact that the test cases does not generate any specific output that can be compared with previously stored reference outputs. The script which extract numerical quantities needs to be extended and it is something in the TODO list.

HTH

--
Mr. Filippo SPIGA, M.Sc.
Quantum ESPRESSO Foundation
http://www.quantum-espresso.org ~ skype: filippo.spiga

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