[molpro-user] Molpro v. 2012 failing 10 last tests on 2 nodes.

Andy May MayAJ1 at cardiff.ac.uk
Wed Jul 10 10:07:56 BST 2013


Which tests failed?

If you run the jobs directly instead of via make, eg:

../bin/molpro [options] input.test

you should see more of the output.

Best wishes,


On 10/07/13 08:53, Piotr Stuglik wrote:
> Dear all,
> are all tests supposed to run properly in the parallel mode?
> I have compiled Molpro v. 2012 in parallel mode using OpenMPI 1.6.4 and
> GCC 4.8.0/Intel 12.1. Both compilations work on 1 node (Intel
> compilation freezes on glycine_optsl.test, but everything else works if
> you simply skip it).
> I've finished running the tests on 2 nodes for GCC compilation and the
> last 10 tests fail. The peculiar thing is that the only thing that can
> be found in the *.errout files is the message that the test gave
> non-zero error code - nothing else. The *.output files either get
> deleted right away or don't appear at all. The whole process of failure
> happens too fast to even change the screen window and see the testjobs
> content. STDOUT gives some additional information, saying that MPI
> killed the process because of the non-zero error code. That's it.
> I will try to re run the tests on different nodes.
> Regards
> Piotr
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