mirror of https://gitlab.com/QEF/q-e.git
Interpolation of rho and wfc was silently resetting to 'none' if
the keyword was not exactly what was supposed to be. Unfortunately example 4 was using 'second-order' instead of 'second_order'. To prevent further problems, both, plus 'second order', and the like for first order of course, are allowed The final CPU report was not reporting about time taken in extrapolation. Dependencies updated git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3732 c92efa57-630b-4861-b058-cf58834340f0
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@ -844,11 +844,11 @@ SUBROUTINE iosys()
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!
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pot_order = 1
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!
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CASE( 'first_order' )
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CASE( 'first_order', 'first-order', 'first order' )
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!
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pot_order = 2
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!
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CASE( 'second_order' )
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CASE( 'second_order', 'second-order', 'second order' )
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!
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pot_order = 3
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!
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@ -863,11 +863,11 @@ SUBROUTINE iosys()
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!
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wfc_order = 0
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!
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CASE( 'first_order' )
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CASE( 'first_order', 'first-order', 'first order' )
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!
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wfc_order = 2
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!
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CASE( 'second_order' )
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CASE( 'second_order', 'second-order', 'second order' )
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!
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wfc_order = 3
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!
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@ -112,7 +112,6 @@ bp_qvan3.o : ../Modules/kind.o
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bp_qvan3.o : ../Modules/uspp.o
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bp_qvan3.o : pwcom.o
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bp_strings.o : ../Modules/kind.o
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c_bands.o : ../Modules/cell_base.o
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c_bands.o : ../Modules/check_stop.o
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c_bands.o : ../Modules/control_flags.o
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c_bands.o : ../Modules/io_files.o
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@ -416,6 +415,9 @@ forces.o : ../Modules/io_global.o
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forces.o : ../Modules/ions_base.o
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forces.o : ../Modules/kind.o
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forces.o : pwcom.o
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g2_kin.o : ../Modules/cell_base.o
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g2_kin.o : ../Modules/kind.o
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g2_kin.o : pwcom.o
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g_psi.o : ../Modules/kind.o
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g_psi.o : g_psi_mod.o
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g_psi_mod.o : ../Modules/kind.o
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@ -656,7 +658,6 @@ newd.o : ../Modules/wavefunctions.o
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newd.o : noncol.o
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newd.o : pwcom.o
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newd.o : realus.o
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non_scf.o : ../Modules/constants.o
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non_scf.o : ../Modules/control_flags.o
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non_scf.o : ../Modules/io_files.o
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non_scf.o : ../Modules/io_global.o
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@ -718,6 +719,13 @@ print_clock_pw.o : ../Modules/control_flags.o
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print_clock_pw.o : ../Modules/io_global.o
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print_clock_pw.o : ../Modules/mp_global.o
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print_clock_pw.o : pwcom.o
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print_ks_energies.o : ../Modules/constants.o
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print_ks_energies.o : ../Modules/control_flags.o
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print_ks_energies.o : ../Modules/io_global.o
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print_ks_energies.o : ../Modules/kind.o
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print_ks_energies.o : ../Modules/mp.o
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print_ks_energies.o : ../Modules/mp_global.o
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print_ks_energies.o : pwcom.o
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psymrho.o : ../Modules/kind.o
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psymrho.o : ../Modules/mp_global.o
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psymrho.o : para.o
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@ -1225,6 +1233,7 @@ force_hub.o : ../include/f_defs.h
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force_lc.o : ../include/f_defs.h
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force_us.o : ../include/f_defs.h
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forces.o : ../include/f_defs.h
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g2_kin.o : ../include/f_defs.h
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gen_at_dj.o : ../include/f_defs.h
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gen_at_dy.o : ../include/f_defs.h
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gen_us_dj.o : ../include/f_defs.h
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@ -1256,6 +1265,7 @@ non_scf.o : ../include/f_defs.h
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orthoatwfc.o : ../include/f_defs.h
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para.o : ../include/f_defs.h
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potinit.o : ../include/f_defs.h
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print_ks_energies.o : ../include/f_defs.h
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psymrho.o : ../include/f_defs.h
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psymrho_mag.o : ../include/f_defs.h
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pw_gemm.o : ../include/f_defs.h
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@ -28,6 +28,7 @@ SUBROUTINE print_clock_pw()
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CALL print_clock( 'PWSCF' )
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CALL print_clock( 'init_run' )
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CALL print_clock( 'electrons' )
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CALL print_clock( 'update_pot' )
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!
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IF ( lforce ) CALL print_clock( 'forces' )
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IF ( lstres ) CALL print_clock( 'stress' )
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@ -76,15 +76,9 @@ SUBROUTINE update_pot()
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LOGICAL :: exists
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!
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!
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CALL start_clock( 'update_pot' )
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IF ( pot_order == 0 .AND. wfc_order == 0 ) RETURN
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!
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IF ( pot_order == 0 .AND. wfc_order == 0 ) THEN
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!
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CALL stop_clock( 'update_pot' )
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!
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RETURN
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!
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END IF
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CALL start_clock( 'update_pot' )
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!
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IF ( ionode ) THEN
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!
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