Specify OMP_NUM_THREADS for Pyhon CI scripts.
commitdeceba34d995656a51658877b1737c7c891038e2
authorM. Eric Irrgang <ericirrgang@gmail.com>
Tue, 29 Sep 2020 14:27:03 +0000 (29 17:27 +0300)
committerM. Eric Irrgang <ericirrgang@gmail.com>
Wed, 30 Sep 2020 12:42:21 +0000 (30 15:42 +0300)
tree3280f3db1ea3cdbce0131387618bada997faabfb
parent3abfca45a4d62c46246288405ba9c02ef117df31
Specify OMP_NUM_THREADS for Pyhon CI scripts.

* Explicitly propagate OMP_NUM_THREADS through mpiexec.
* Apply self-consistent CI memory parameters.
* Only use 1 OMP thread for gmxapi Python tests. We want to use two tMPI
  ranks, and no extra threads. tMPI threads are set separately.

Refs #3704
admin/ci-scripts/build-and-test-py-gmxapi-0.1.sh
admin/ci-scripts/build-and-test-py-gmxapi-0.2.sh
admin/ci-scripts/build-and-test-sample_restraint-2020.sh
admin/ci-scripts/build-and-test-sample_restraint-2021.sh
admin/gitlab-ci/python-gmxapi.gitlab-ci.yml
admin/gitlab-ci/sample_restraint-regression.gitlab-ci.yml
admin/gitlab-ci/sample_restraint.gitlab-ci.yml