diff --git a/easybuild/easyblocks/n/nwchem.py b/easybuild/easyblocks/n/nwchem.py index a9495ccbe9..6eac2b6e68 100644 --- a/easybuild/easyblocks/n/nwchem.py +++ b/easybuild/easyblocks/n/nwchem.py @@ -458,10 +458,6 @@ def test_cases_step(self): test_cases_logfn = os.path.join(self.installdir, config.log_path(), 'test_cases.log') test_cases_log = open(test_cases_logfn, "w") - # ensure parallel is set in case check_readiness_step is skipped - if not self.cfg['parallel']: - self.set_parallel() - for (testdir, tests) in self.cfg['tests']: # run test in a temporary dir @@ -478,10 +474,8 @@ def test_cases_step(self): max_mpi_ranks = min(self.cfg['parallel'], 4) # run tests for testx in tests: - if testx == 'band.nw' and LooseVersion(self.version) < LooseVersion("7.2"): - n_mpi_ranks = 1 - else: - n_mpi_ranks = max_mpi_ranks + # some test cases hang with more than 1 rank on some architectures + n_mpi_ranks = 1 cmd = '%s %s' % (self.toolchain.mpi_cmd_for('nwchem', n_mpi_ranks), testx) msg = "Running test '%s' (from %s) in %s..." % (cmd, testdir, tmpdir) self.log.info(msg)