# # CHECKOUT ESPRESSO # P PW/average_pp.f90 P PW/hinit1.f90 P PW/make.depend P PW/update_pot.f90 P tests/README P tests/berry.ref2 U tests/electric0.in U tests/electric0.ref U tests/electric1.in U tests/electric1.ref U tests/electric2.in U tests/electric2.ref U tests/md-pot_extrap1.in U tests/md-pot_extrap1.ref U tests/md-pot_extrap2.in U tests/md-pot_extrap2.ref U tests/md-wfc_extrap1.in U tests/md-wfc_extrap1.ref U tests/md-wfc_extrap2.in U tests/md-wfc_extrap2.ref P tests/md.in P tests/md.ref # # CONFIGURE # configure: exit 0 # # MAKE ALL # make all: success Checking atom-lsda...passed Checking atom-pbe...passed Checking atom-sigmapbe...passed Checking atom...passed Checking berry...passed Checking berry, step 2 ...passed Checking electric0...passed Checking electric1...passed Checking electric2...passed Checking lattice-ibrav0-abc...passed Checking lattice-ibrav0-cell_parameters+a...passed Checking lattice-ibrav0-cell_parameters+celldm...passed Checking lattice-ibrav0-cell_parameters...passed Checking lattice-ibrav1-kauto...passed Checking lattice-ibrav1...passed Checking lattice-ibrav10-kauto...passed Checking lattice-ibrav10...passed Checking lattice-ibrav11-kauto...passed Checking lattice-ibrav11...passed Checking lattice-ibrav12-kauto...passed Checking lattice-ibrav12...passed Checking lattice-ibrav13-kauto...passed Checking lattice-ibrav13...passed Checking lattice-ibrav14-kauto...passed Checking lattice-ibrav14...passed Checking lattice-ibrav2-kauto...passed Checking lattice-ibrav2...passed Checking lattice-ibrav3-kauto...passed Checking lattice-ibrav3...passed Checking lattice-ibrav4-kauto...passed Checking lattice-ibrav4...passed Checking lattice-ibrav5-kauto...passed Checking lattice-ibrav5...passed Checking lattice-ibrav6-kauto...passed Checking lattice-ibrav6...passed Checking lattice-ibrav7-kauto...passed Checking lattice-ibrav7...passed Checking lattice-ibrav8-kauto...passed Checking lattice-ibrav8...passed Checking lattice-ibrav9-kauto...passed Checking lattice-ibrav9...passed Checking lda+U-noU...passed Checking lda+U-user_ns...passed Checking lda+U...passed Checking lsda-cg...passed Checking lsda-mixing_TF...passed Checking lsda-mixing_localTF...passed Checking lsda-mixing_ndim...passed Checking lsda-nelup+neldw...passed Checking lsda-tot_magnetization...passed Checking lsda...passed Checking lsda, step 2 ...passed Checking md-pot_extrap1...passed Checking md-pot_extrap2...discrepancy in number of scf iterations detected Reference: 1, You got: 3 Checking md-wfc_extrap1...passed Checking md-wfc_extrap2...passed Checking md...passed Checking metaGGA...passed Checking metadyn...passed Checking metal-fermi_dirac...passed Checking metal-gaussian...passed Checking metal-tetrahedra...passed Checking metal-tetrahedra, step 2 ...passed Checking metal...passed Checking metal, step 2 ...passed Checking neb1-H2+H...passed Checking neb2-H2+H-symm...passed Checking neb3-H2+H-asym...passed Checking noncolin-cg...passed Checking noncolin-constrain_angle...passed Checking noncolin-constrain_atomic...passed Checking noncolin-constrain_total...passed Checking noncolin...passed Checking noncolin, step 2 ...passed Checking relax-damped...passed Checking relax...passed Checking relax2-bfgs_ndim3...passed Checking relax2...passed Checking scf-cg...passed Checking scf-disk_io...passed Checking scf-gamma...passed Checking scf-k0...passed Checking scf-kauto...passed Checking scf-mixing_TF...passed Checking scf-mixing_beta...passed Checking scf-mixing_localTF...passed Checking scf-mixing_ndim...passed Checking scf-ncpp...passed Checking scf-wf_collect...passed Checking scf...passed Checking scf, step 2 ...passed Checking spinorbit...passed Checking spinorbit, step 2 ...passed Checking uspp-cg...passed Checking uspp-mixing_TF...passed Checking uspp-mixing_localTF...passed Checking uspp-mixing_ndim...passed Checking uspp-singlegrid...passed Checking uspp...passed Checking uspp, step 2 ...passed Checking uspp1-coulomb...passed Checking uspp1...passed Checking uspp2...passed Checking vc-relax1...passed Checking vc-relax2...passed Total wall time (s) spent in this run: 930.16 Reference : 2334.89