Test functionals/03-xc.test
Comparison between runs
All inputs
03-xc.01-gs.inp PASS
03-xc.b3lyp_fock.inp PASS
03-xc.b3lyp_oep.inp PASS
03-xc.exx.inp PASS
03-xc.fbex.inp PASS
03-xc.gga_c_am05.inp PASS
03-xc.gga_c_lm.inp PASS
03-xc.gga_c_lyp.inp PASS
03-xc.gga_c_p86.inp PASS
03-xc.gga_c_pbe.inp PASS
03-xc.gga_c_pbe_jrgx.inp PASS
03-xc.gga_c_pbe_sol.inp PASS
03-xc.gga_c_pw91.inp PASS
03-xc.gga_c_xpbe.inp PASS
03-xc.gga_x_am05.inp PASS
03-xc.gga_x_b86.inp PASS
03-xc.gga_x_b86_mgc.inp PASS
03-xc.gga_x_b88.inp PASS
03-xc.gga_x_bayesian.inp PASS
03-xc.gga_x_dk87_r1.inp PASS
03-xc.gga_x_dk87_r2.inp PASS
03-xc.gga_x_ft97_a.inp PASS
03-xc.gga_x_ft97_b.inp PASS
03-xc.gga_x_g96.inp PASS
03-xc.gga_x_lb.inp PASS
03-xc.gga_x_lg93.inp PASS
03-xc.gga_x_mpbe.inp PASS
03-xc.gga_x_mpw91.inp PASS
03-xc.gga_x_optb88_vdw.inp PASS
03-xc.gga_x_optpbe_vdw.inp PASS
03-xc.gga_x_optx.inp PASS
03-xc.gga_x_pbe.inp PASS
03-xc.gga_x_pbe_jsjr.inp PASS
03-xc.gga_x_pbe_r.inp PASS
03-xc.gga_x_pbe_sol.inp PASS
03-xc.gga_x_pbea.inp PASS
03-xc.gga_x_pbek1_vdw.inp PASS
03-xc.gga_x_pw86.inp PASS
03-xc.gga_x_pw91.inp PASS
03-xc.gga_x_rpbe.inp PASS
03-xc.gga_x_wc.inp PASS
03-xc.gga_x_xpbe.inp PASS
03-xc.gga_xc_b97_d.inp PASS
03-xc.gga_xc_edf1.inp PASS
03-xc.gga_xc_hcth_120.inp PASS
03-xc.gga_xc_hcth_147.inp PASS
03-xc.gga_xc_hcth_407.inp PASS
03-xc.gga_xc_hcth_93.inp PASS
03-xc.gga_xc_mpwlyp1w.inp PASS
03-xc.gga_xc_pbe1w.inp PASS
03-xc.gga_xc_pbelyp1w.inp PASS
03-xc.gga_xc_xlyp.inp PASS
03-xc.kli.inp PASS
03-xc.lda_c_gl.inp PASS
03-xc.lda_c_hl.inp PASS
03-xc.lda_c_ob_pw.inp PASS
03-xc.lda_c_ob_pz.inp PASS
03-xc.lda_c_pw.inp PASS
03-xc.lda_c_pw_mod.inp PASS
03-xc.lda_c_pz.inp PASS
03-xc.lda_c_pz_mod.inp PASS
03-xc.lda_c_rpa.inp PASS
03-xc.lda_c_vbh.inp PASS
03-xc.lda_c_vwn.inp PASS
03-xc.lda_c_vwn_rpa.inp PASS
03-xc.lda_c_wigner.inp PASS
03-xc.lda_c_xalpha.inp PASS
03-xc.lda_x.inp PASS
03-xc.lda_xc_teter93.inp PASS
03-xc.mvorb_hse06_fock.inp PASS
03-xc.pbe0_fock.inp PASS
03-xc.pbe0_oep.inp PASS
03-xc.sic_pz.inp PASS
03-xc.slater.inp PASS
Runs found for this test
-
spack_foss-2022a_serial_min PASS
spack_foss-2023a_serial_min PASS
spack_foss-2022a_serial_opt PASS
spack_foss-2022a_serial PASS
spack_foss-2022a_ppc PASS
spack_foss-2022a_mpi_min PASS
spack_foss-2023a_mpi_min PASS
spack_foss-2022a_mpi_opt PASS
spack_intel-2023a_impi PASS
spack_foss-2022a_serial_debug PASS
spack_intel-2022a_serial_omp PASS
spack_foss-2022a_mpi PASS
spack_foss-2022a_mpi_debug PASS
spack_foss-2022a_cuda_serial PASS
spack_foss-2022a_cuda_mpi_omp FAIL
spack_intel-2022a_impi_omp PASS
spack_foss-2022a_valgrind PASS