Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

4 failures in testsuite #188

Open
VishalKJ opened this issue Oct 31, 2019 · 0 comments
Open

4 failures in testsuite #188

VishalKJ opened this issue Oct 31, 2019 · 0 comments

Comments

@VishalKJ
Copy link

Dear developers,

In all my compilations of BAGEL( git-master downloaded in first week of October) with various MPI(OpenMPI,IntelMPI) or math libraries (MKL,OpenBLAS) I get 4 failures in testuite.

../../src/testimpl/test_force.cc(112): error: in "TEST_FORCE/Finite_Grad": check compare(run_force("hf_mix_dfhf_finite"), reference_scf_finite_mix(), 1.0e-5) has failed ../../src/testimpl/test_force.cc(113): error: in "TEST_FORCE/Finite_Grad": check compare(run_force("hf_svp_mp2_aux_finite"), reference_svp_mp2_aux_finite(), 1.0e-5) has failed ../../src/testimpl/test_force.cc(115): error: in "TEST_FORCE/Finite_Grad": check compare(run_force("lif_svp_xmscaspt2_finite"), reference_xms_finite(), 1.0e-5) has fail ed ../../src/testimpl/test_opt.cc(155): error: in "TEST_OPT/DF_HF_Opt": check compare(run_opt("hf_svp_coulomb_opt"), reference_dcf_opt(), 1.0e-4) has failed

Are these due to some faults in compile options ? The output files show that the calculations themselves completed, however maybe they are in disagreement with some reference data.
I would be grateful for any pointers on fixing these or if these issuses can be ignored.

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
None yet
Projects
None yet
Development

No branches or pull requests

1 participant