diff --git a/CPV/CMakeLists.txt b/CPV/CMakeLists.txt index a30827db8..21d975de0 100644 --- a/CPV/CMakeLists.txt +++ b/CPV/CMakeLists.txt @@ -162,7 +162,6 @@ target_link_libraries(qe_cpv_cppp_exe PRIVATE qe_modules qe_cpv - qe_clib qe_xclib) ########################################################### @@ -189,4 +188,4 @@ qe_install_targets( qe_cpv_exe qe_cpv_manycp_exe qe_cpv_cppp_exe - qe_cpv_wfdd_exe) \ No newline at end of file + qe_cpv_wfdd_exe) diff --git a/CPV/src/cp_restart_new.f90 b/CPV/src/cp_restart_new.f90 index 92f32f4a3..d8de28460 100644 --- a/CPV/src/cp_restart_new.f90 +++ b/CPV/src/cp_restart_new.f90 @@ -81,7 +81,7 @@ MODULE cp_restart_new USE uspp_param, ONLY : upf USE london_module, ONLY : scal6, lon_rcut, in_c6 USE tsvdw_module, ONLY : vdw_isolated, vdw_econv_thr - USE wrappers, ONLY : f_copy + USE clib_wrappers, ONLY : f_copy USE uspp, ONLY : okvan USE input_parameters, ONLY : vdw_corr, starting_ns_eigenvalue USE qexsd_init, ONLY: qexsd_init_convergence_info, qexsd_init_algorithmic_info, & diff --git a/CPV/src/init_run.f90 b/CPV/src/init_run.f90 index 494079872..99a6ccba7 100644 --- a/CPV/src/init_run.f90 +++ b/CPV/src/init_run.f90 @@ -71,7 +71,7 @@ SUBROUTINE init_run() USE ions_base, ONLY : ions_reference_positions, cdmi USE mp_bands, ONLY : nbgrp USE mp, ONLY : mp_barrier - USE wrappers + USE clib_wrappers USE ldaU_cp USE control_flags, ONLY : lwfpbe0nscf ! exx_wf related USE wavefunctions, ONLY : cv0 ! exx_wf related diff --git a/CPV/src/make.depend b/CPV/src/make.depend index 96d731b1c..7be00ed0a 100644 --- a/CPV/src/make.depend +++ b/CPV/src/make.depend @@ -144,7 +144,7 @@ cp_restart_new.o : ../../Modules/qexsd_input.o cp_restart_new.o : ../../Modules/recvec.o cp_restart_new.o : ../../Modules/run_info.o cp_restart_new.o : ../../Modules/tsvdw.o -cp_restart_new.o : ../../Modules/wrappers.o +cp_restart_new.o : ../../UtilXlib/clib_wrappers.o cp_restart_new.o : ../../UtilXlib/mp.o cp_restart_new.o : ../../XClib/xc_lib.o cp_restart_new.o : ../../upflib/upf_ions.o @@ -543,7 +543,7 @@ init_run.o : ../../Modules/recvec.o init_run.o : ../../Modules/timestep.o init_run.o : ../../Modules/tsvdw.o init_run.o : ../../Modules/wavefunctions.o -init_run.o : ../../Modules/wrappers.o +init_run.o : ../../UtilXlib/clib_wrappers.o init_run.o : ../../UtilXlib/mp.o init_run.o : ../../XClib/xc_lib.o init_run.o : ../../upflib/uspp.o @@ -902,7 +902,7 @@ print_out.o : ../../Modules/io_global.o print_out.o : ../../Modules/ions_base.o print_out.o : ../../Modules/kind.o print_out.o : ../../Modules/tsvdw.o -print_out.o : ../../Modules/wrappers.o +print_out.o : ../../UtilXlib/clib_wrappers.o print_out.o : ../../XClib/xc_lib.o print_out.o : cg.o print_out.o : efield.o diff --git a/CPV/src/print_out.f90 b/CPV/src/print_out.f90 index 87da86209..1c410e645 100644 --- a/CPV/src/print_out.f90 +++ b/CPV/src/print_out.f90 @@ -45,7 +45,7 @@ USE xc_lib, ONLY : xclib_dft_is, exx_is_active USE wannier_module, ONLY : wfc USE electrons_base, ONLY : nbsp, nspin, nupdwn, iupdwn - USE wrappers, ONLY : memstat + USE clib_wrappers, ONLY : memstat ! IMPLICIT NONE ! diff --git a/GWW/pw4gww/fake_conduction.f90 b/GWW/pw4gww/fake_conduction.f90 index 8715a2bf3..a178f9cb1 100644 --- a/GWW/pw4gww/fake_conduction.f90 +++ b/GWW/pw4gww/fake_conduction.f90 @@ -14,7 +14,7 @@ MODULE fake_cond_mod USE kinds, ONLY : DP - USE wrappers, ONLY : memstat + USE clib_wrappers, ONLY : memstat IMPLICIT NONE SAVE diff --git a/GWW/pw4gww/make.depend b/GWW/pw4gww/make.depend index e8cf71a28..17512e86a 100644 --- a/GWW/pw4gww/make.depend +++ b/GWW/pw4gww/make.depend @@ -110,9 +110,9 @@ fake_conduction.o : ../../Modules/noncol.o fake_conduction.o : ../../Modules/recvec.o fake_conduction.o : ../../Modules/wannier_gw.o fake_conduction.o : ../../Modules/wavefunctions.o -fake_conduction.o : ../../Modules/wrappers.o fake_conduction.o : ../../PW/src/g_psi_mod.o fake_conduction.o : ../../PW/src/pwcom.o +fake_conduction.o : ../../UtilXlib/clib_wrappers.o fake_conduction.o : ../../UtilXlib/mp.o fake_conduction.o : ../../upflib/uspp.o fake_conduction.o : fft_custom.o diff --git a/Modules/CMakeLists.txt b/Modules/CMakeLists.txt index ba2e1e31b..7361d9e36 100644 --- a/Modules/CMakeLists.txt +++ b/Modules/CMakeLists.txt @@ -48,7 +48,6 @@ set(src_modules plugin_flags.f90 plugin_arguments.f90 plugin_variables.f90 - print_mem.f90 pw_dot.f90 qmmm.f90 random_numbers.f90 @@ -71,7 +70,6 @@ set(src_modules wannier_gw.f90 wannier_new.f90 wavefunctions.f90 - wrappers.f90 ws_base.f90 xc_vdW_DF.f90 xc_rVV10.f90 @@ -138,7 +136,6 @@ target_link_libraries(qe_modules qe_openmp_fortran qe_fftx qe_lax - qe_clib # this is needed only by wrappers.f90 qe_mpi_fortran qe_mbd qe_xclib diff --git a/Modules/Makefile b/Modules/Makefile index 03f2b41e9..da87e83c1 100644 --- a/Modules/Makefile +++ b/Modules/Makefile @@ -58,7 +58,6 @@ parser.o \ plugin_flags.o \ plugin_arguments.o \ plugin_variables.o \ -print_mem.o\ pw_dot.o \ qmmm.o \ random_numbers.o \ @@ -81,7 +80,6 @@ version.o \ wannier_gw.o\ wannier_new.o \ wavefunctions.o \ -wrappers.o\ ws_base.o \ xc_vdW_DF.o \ xc_rVV10.o \ diff --git a/Modules/environment.f90 b/Modules/environment.f90 index 191043144..f8b7175b5 100644 --- a/Modules/environment.f90 +++ b/Modules/environment.f90 @@ -24,7 +24,7 @@ MODULE environment USE global_version, ONLY: version_number USE fox_init_module, ONLY: fox_init USE command_line_options, ONLY : nmany_ - USE wrappers, ONLY : get_mem_avail + USE clib_wrappers, ONLY : get_mem_avail #if defined(__HDF5) USE qeh5_base_module, ONLY: initialize_hdf5, finalize_hdf5 #endif diff --git a/Modules/io_files.f90 b/Modules/io_files.f90 index 137fdc797..b5b8da10e 100644 --- a/Modules/io_files.f90 +++ b/Modules/io_files.f90 @@ -133,7 +133,7 @@ CONTAINS SUBROUTINE create_directory( dirname ) !------------------------------------------------------------------------ ! - USE wrappers, ONLY : f_mkdir_safe + USE clib_wrappers, ONLY : f_mkdir_safe ! CHARACTER(LEN=*), INTENT(IN) :: dirname ! @@ -177,7 +177,7 @@ CONTAINS !----------------------------------------------------------------------- !! Verify if \(\text{tmp_dir}\) exists, creates it if not. ! - USE wrappers, ONLY : f_mkdir_safe + USE clib_wrappers, ONLY : f_mkdir_safe ! IMPLICIT NONE ! diff --git a/Modules/make.depend b/Modules/make.depend index 7664a7fec..fc636e464 100644 --- a/Modules/make.depend +++ b/Modules/make.depend @@ -78,6 +78,7 @@ dist.o : kind.o electrons_base.o : constants.o electrons_base.o : io_global.o electrons_base.o : kind.o +environment.o : ../UtilXlib/clib_wrappers.o environment.o : command_line_options.o environment.o : fox_init_module.o environment.o : io_files.o @@ -150,12 +151,12 @@ io_base.o : kind.o io_base.o : mp_wave.o io_base.o : qeh5_module.o io_base.o : recvec.o +io_files.o : ../UtilXlib/clib_wrappers.o io_files.o : ../UtilXlib/mp.o io_files.o : io_global.o io_files.o : kind.o io_files.o : mp_images.o io_files.o : parameters.o -io_files.o : wrappers.o ions_base.o : ../upflib/uspp.o ions_base.o : cell_base.o ions_base.o : constants.o @@ -300,6 +301,7 @@ radial_gradients.o : kind.o random_numbers.o : kind.o random_numbers_gpu.o : kind.o random_numbers_gpu.o : random_numbers.o +read_cards.o : ../UtilXlib/clib_wrappers.o read_cards.o : additional_kpoints.o read_cards.o : autopilot.o read_cards.o : bz_form.o @@ -309,7 +311,6 @@ read_cards.o : io_global.o read_cards.o : kind.o read_cards.o : parser.o read_cards.o : wannier_new.o -read_cards.o : wrappers.o read_cards.o : wypos.o read_input.o : ../UtilXlib/mp.o read_input.o : input_parameters.o @@ -325,6 +326,7 @@ read_namelists.o : input_parameters.o read_namelists.o : io_global.o read_namelists.o : kind.o read_namelists.o : mp_images.o +read_pseudo.o : ../UtilXlib/clib_wrappers.o read_pseudo.o : ../UtilXlib/mp.o read_pseudo.o : ../XClib/xc_lib.o read_pseudo.o : ../upflib/atom.o @@ -343,7 +345,6 @@ read_pseudo.o : io_global.o read_pseudo.o : ions_base.o read_pseudo.o : kind.o read_pseudo.o : mp_images.o -read_pseudo.o : wrappers.o recips.o : kind.o recvec.o : ../UtilXlib/mp.o recvec.o : constants.o @@ -398,8 +399,6 @@ wavefunctions.o : kind.o wavefunctions_gpu.o : wavefunctions.o wgauss.o : constants.o wgauss.o : kind.o -wrappers.o : io_global.o -wrappers.o : kind.o ws_base.o : invmat.o ws_base.o : kind.o wyckoff.o : kind.o diff --git a/Modules/read_cards.f90 b/Modules/read_cards.f90 index 4733e77f0..ba9fd28b6 100644 --- a/Modules/read_cards.f90 +++ b/Modules/read_cards.f90 @@ -350,7 +350,7 @@ CONTAINS ! SUBROUTINE card_atomic_positions( input_line, prog ) ! - USE wrappers, ONLY: feval_infix + USE clib_wrappers, ONLY: feval_infix ! IMPLICIT NONE ! @@ -991,7 +991,7 @@ CONTAINS ! SUBROUTINE card_occupations( input_line ) ! - USE wrappers, ONLY: feval_infix + USE clib_wrappers, ONLY: feval_infix ! IMPLICIT NONE ! diff --git a/Modules/read_pseudo.f90 b/Modules/read_pseudo.f90 index b01f491a0..2583cee1c 100644 --- a/Modules/read_pseudo.f90 +++ b/Modules/read_pseudo.f90 @@ -47,7 +47,7 @@ SUBROUTINE readpp ( input_dft, printout, ecutwfc_pp, ecutrho_pp ) USE funct, ONLY: enforce_input_dft, set_dft_from_name, get_inlc USE xc_lib, ONLY: xclib_get_id USE radial_grids, ONLY: deallocate_radial_grid, nullify_radial_grid - USE wrappers, ONLY: md5_from_file + USE clib_wrappers, ONLY: md5_from_file USE read_upf_v1_module, ONLY: read_upf_v1 USE read_upf_new_module, ONLY: read_upf_new USE upf_auxtools, ONLY: upf_get_pp_format, upf_check_atwfc_norm diff --git a/NEB/src/input.f90 b/NEB/src/input.f90 index eee4307d5..454311773 100644 --- a/NEB/src/input.f90 +++ b/NEB/src/input.f90 @@ -237,7 +237,7 @@ END SUBROUTINE ioneb SUBROUTINE verify_neb_tmpdir( tmp_dir ) !----------------------------------------------------------------------- ! - USE wrappers, ONLY : f_mkdir + USE clib_wrappers, ONLY : f_mkdir USE path_input_parameters_module, ONLY : restart_mode USE io_files, ONLY : prefix, check_tempdir, delete_if_present USE path_variables, ONLY : num_of_images diff --git a/NEB/src/make.depend b/NEB/src/make.depend index ecce43f40..8c7133e9d 100644 --- a/NEB/src/make.depend +++ b/NEB/src/make.depend @@ -57,8 +57,8 @@ input.o : ../../Modules/io_files.o input.o : ../../Modules/io_global.o input.o : ../../Modules/kind.o input.o : ../../Modules/mp_world.o -input.o : ../../Modules/wrappers.o input.o : ../../PW/src/fcp_module.o +input.o : ../../UtilXlib/clib_wrappers.o input.o : ../../UtilXlib/mp.o input.o : fcp_variables.o input.o : path_input_parameters_module.o diff --git a/PHonon/FD/fd.f90 b/PHonon/FD/fd.f90 index 5bcfe9ebc..ef722328c 100644 --- a/PHonon/FD/fd.f90 +++ b/PHonon/FD/fd.f90 @@ -22,7 +22,7 @@ program fd USE kinds, ONLY : dp USE gvecw, ONLY : ecutwfc USE gvect, ONLY : ecutrho - USE wrappers, ONLY : f_mkdir_safe + USE clib_wrappers, ONLY : f_mkdir_safe USE symm_base USE symme diff --git a/PHonon/FD/make.depend b/PHonon/FD/make.depend index c87d3790b..0581d8f52 100644 --- a/PHonon/FD/make.depend +++ b/PHonon/FD/make.depend @@ -10,9 +10,9 @@ fd.o : ../../Modules/kind.o fd.o : ../../Modules/mp_global.o fd.o : ../../Modules/mp_world.o fd.o : ../../Modules/recvec.o -fd.o : ../../Modules/wrappers.o fd.o : ../../PW/src/symm_base.o fd.o : ../../PW/src/symme.o +fd.o : ../../UtilXlib/clib_wrappers.o fd.o : ../../UtilXlib/mp.o fd_ef.o : ../../Modules/cell_base.o fd_ef.o : ../../Modules/constants.o diff --git a/PHonon/PH/check_initial_status.f90 b/PHonon/PH/check_initial_status.f90 index 5dc41ed88..f44b8d68d 100644 --- a/PHonon/PH/check_initial_status.f90 +++ b/PHonon/PH/check_initial_status.f90 @@ -586,7 +586,7 @@ SUBROUTINE check_initial_status(auxdyn) USE control_ph, ONLY : ldisp, epsil, zue, zeu USE klist, ONLY : lgauss, ltetra USE el_phon, ONLY : elph - USE wrappers, ONLY : f_copy + USE clib_wrappers, ONLY : f_copy USE mp, ONLY : mp_barrier USE mp_images, ONLY : my_image_id, nimage, intra_image_comm USE io_global, ONLY : stdout, ionode diff --git a/PHonon/PH/dfile_star.f90 b/PHonon/PH/dfile_star.f90 index 0133d2b13..51bdb8ee6 100644 --- a/PHonon/PH/dfile_star.f90 +++ b/PHonon/PH/dfile_star.f90 @@ -106,7 +106,7 @@ SUBROUTINE write_dfile_star(descr, source, nsym, xq, u, nq, sxq, isq, s, & USE noncollin_module, ONLY : nspin_mag USE mp_images, ONLY : intra_image_comm USE mp, ONLY : mp_bcast, mp_barrier - USE wrappers, ONLY : f_mkdir_safe + USE clib_wrappers, ONLY : f_mkdir_safe USE control_ph, ONLY : search_sym USE lr_symm_base, ONLY : rtau diff --git a/PHonon/PH/make.depend b/PHonon/PH/make.depend index 41d67091b..99667cd86 100644 --- a/PHonon/PH/make.depend +++ b/PHonon/PH/make.depend @@ -228,11 +228,11 @@ check_initial_status.o : ../../Modules/ions_base.o check_initial_status.o : ../../Modules/mp_global.o check_initial_status.o : ../../Modules/mp_images.o check_initial_status.o : ../../Modules/noncol.o -check_initial_status.o : ../../Modules/wrappers.o check_initial_status.o : ../../PW/src/io_rho_xml.o check_initial_status.o : ../../PW/src/pwcom.o check_initial_status.o : ../../PW/src/scf_mod.o check_initial_status.o : ../../PW/src/symm_base.o +check_initial_status.o : ../../UtilXlib/clib_wrappers.o check_initial_status.o : ../../UtilXlib/mp.o check_initial_status.o : acfdtest.o check_initial_status.o : dvscf_interpolate.o @@ -410,15 +410,16 @@ dfile_star.o : ../../Modules/ions_base.o dfile_star.o : ../../Modules/kind.o dfile_star.o : ../../Modules/mp_images.o dfile_star.o : ../../Modules/noncol.o -dfile_star.o : ../../Modules/wrappers.o dfile_star.o : ../../PW/src/pwcom.o dfile_star.o : ../../PW/src/symm_base.o +dfile_star.o : ../../UtilXlib/clib_wrappers.o dfile_star.o : ../../UtilXlib/mp.o dfile_star.o : dfile_autoname.o dfile_star.o : phcom.o dhdrhopsi.o : ../../LR_Modules/lrcom.o dhdrhopsi.o : ../../Modules/becmod.o dhdrhopsi.o : ../../Modules/cell_base.o +dhdrhopsi.o : ../../Modules/control_flags.o dhdrhopsi.o : ../../Modules/fft_base.o dhdrhopsi.o : ../../Modules/kind.o dhdrhopsi.o : ../../Modules/mp_bands.o diff --git a/PP/CMakeLists.txt b/PP/CMakeLists.txt index 03d45a002..2267abdd3 100644 --- a/PP/CMakeLists.txt +++ b/PP/CMakeLists.txt @@ -323,7 +323,6 @@ qe_add_executable(qe_pp_wannierham_exe ${src_wannier_ham_x}) set_target_properties(qe_pp_wannierham_exe PROPERTIES OUTPUT_NAME wannier_ham.x) target_link_libraries(qe_pp_wannierham_exe PRIVATE - qe_clib qe_pw qe_modules qe_upflib diff --git a/PW/src/electrons.f90 b/PW/src/electrons.f90 index 6afd1acec..a2ad7480c 100644 --- a/PW/src/electrons.f90 +++ b/PW/src/electrons.f90 @@ -427,7 +427,7 @@ SUBROUTINE electrons_scf ( printout, exxen ) USE esm, ONLY : do_comp_esm, esm_printpot, esm_ewald USE fcp_module, ONLY : lfcp, fcp_mu USE gcscf_module, ONLY : lgcscf, gcscf_mu, gcscf_ignore_mun, gcscf_set_nelec - USE wrappers, ONLY : memstat + USE clib_wrappers, ONLY : memstat USE iso_c_binding, ONLY : c_int ! USE plugin_variables, ONLY : plugin_etot diff --git a/PW/src/make.depend b/PW/src/make.depend index fba12cd70..80b31d3a6 100644 --- a/PW/src/make.depend +++ b/PW/src/make.depend @@ -536,7 +536,7 @@ electrons.o : ../../Modules/recvec.o electrons.o : ../../Modules/tsvdw.o electrons.o : ../../Modules/wavefunctions.o electrons.o : ../../Modules/wavefunctions_gpu.o -electrons.o : ../../Modules/wrappers.o +electrons.o : ../../UtilXlib/clib_wrappers.o electrons.o : ../../UtilXlib/mp.o electrons.o : ../../XClib/xc_lib.o electrons.o : ../../dft-d3/api.o @@ -1902,7 +1902,7 @@ punch.o : ../../Modules/ions_base.o punch.o : ../../Modules/qexsd.o punch.o : ../../Modules/wavefunctions.o punch.o : ../../Modules/wavefunctions_gpu.o -punch.o : ../../Modules/wrappers.o +punch.o : ../../UtilXlib/clib_wrappers.o punch.o : a2fmod.o punch.o : io_rho_xml.o punch.o : pw_restart_new.o @@ -2003,7 +2003,7 @@ pw_restart_new.o : ../../Modules/run_info.o pw_restart_new.o : ../../Modules/tsvdw.o pw_restart_new.o : ../../Modules/wavefunctions.o pw_restart_new.o : ../../Modules/wavefunctions_gpu.o -pw_restart_new.o : ../../Modules/wrappers.o +pw_restart_new.o : ../../UtilXlib/clib_wrappers.o pw_restart_new.o : ../../UtilXlib/mp.o pw_restart_new.o : ../../XClib/xc_lib.o pw_restart_new.o : ../../upflib/paw_variables.o diff --git a/PW/src/punch.f90 b/PW/src/punch.f90 index cfc43d8d9..e58ae85c6 100644 --- a/PW/src/punch.f90 +++ b/PW/src/punch.f90 @@ -28,7 +28,7 @@ SUBROUTINE punch( what ) USE control_flags, ONLY : io_level, lscf, lxdm USE klist, ONLY : nks USE io_files, ONLY : psfile, pseudo_dir - USE wrappers, ONLY : f_copy + USE clib_wrappers, ONLY : f_copy USE spin_orb, ONLY : lforcet USE scf, ONLY : rho USE lsda_mod, ONLY : nspin diff --git a/PW/src/pw_restart_new.f90 b/PW/src/pw_restart_new.f90 index 7977d3364..b94a6ea7f 100644 --- a/PW/src/pw_restart_new.f90 +++ b/PW/src/pw_restart_new.f90 @@ -757,7 +757,7 @@ MODULE pw_restart_new USE mp_pools, ONLY : intra_pool_comm, inter_pool_comm USE mp_bands, ONLY : me_bgrp, root_bgrp, intra_bgrp_comm, & root_bgrp_id, my_bgrp_id - USE wrappers, ONLY : f_mkdir_safe + USE clib_wrappers, ONLY : f_mkdir_safe ! USE wavefunctions_gpum, ONLY : using_evc USE wvfct_gpum, ONLY : using_et diff --git a/TDDFPT/src/lr_eels_main.f90 b/TDDFPT/src/lr_eels_main.f90 index 53ea5904a..f5d6cd1b9 100644 --- a/TDDFPT/src/lr_eels_main.f90 +++ b/TDDFPT/src/lr_eels_main.f90 @@ -37,7 +37,7 @@ PROGRAM lr_eels_main USE check_stop, ONLY : check_stop_now, check_stop_init USE fft_base, ONLY : dffts USE uspp, ONLY : okvan - USE wrappers, ONLY : memstat + USE clib_wrappers, ONLY : memstat USE lr_sternheimer, ONLY : one_sternheimer_step USE control_lr, ONLY : flmixdpot USE control_flags, ONLY : use_para_diag diff --git a/TDDFPT/src/lr_magnons_main.f90 b/TDDFPT/src/lr_magnons_main.f90 index 73ea97e9d..b72a6be1c 100755 --- a/TDDFPT/src/lr_magnons_main.f90 +++ b/TDDFPT/src/lr_magnons_main.f90 @@ -42,7 +42,7 @@ PROGRAM lr_magnons_main USE check_stop, ONLY : check_stop_now, check_stop_init USE fft_base, ONLY : dffts USE uspp, ONLY : okvan - USE wrappers, ONLY : memstat + USE clib_wrappers, ONLY : memstat USE klist, ONLY : igk_k ! IMPLICIT NONE diff --git a/TDDFPT/src/make.depend b/TDDFPT/src/make.depend index edfaee438..c724252f9 100644 --- a/TDDFPT/src/make.depend +++ b/TDDFPT/src/make.depend @@ -339,8 +339,8 @@ lr_eels_main.o : ../../Modules/mp_global.o lr_eels_main.o : ../../Modules/mp_images.o lr_eels_main.o : ../../Modules/noncol.o lr_eels_main.o : ../../Modules/wavefunctions.o -lr_eels_main.o : ../../Modules/wrappers.o lr_eels_main.o : ../../PW/src/pwcom.o +lr_eels_main.o : ../../UtilXlib/clib_wrappers.o lr_eels_main.o : ../../upflib/uspp.o lr_eels_main.o : lr_lanczos.o lr_eels_main.o : lr_sternheimer.o @@ -411,8 +411,8 @@ lr_magnons_main.o : ../../Modules/mp_pools.o lr_magnons_main.o : ../../Modules/mp_world.o lr_magnons_main.o : ../../Modules/version.o lr_magnons_main.o : ../../Modules/wavefunctions.o -lr_magnons_main.o : ../../Modules/wrappers.o lr_magnons_main.o : ../../PW/src/pwcom.o +lr_magnons_main.o : ../../UtilXlib/clib_wrappers.o lr_magnons_main.o : ../../upflib/uspp.o lr_magnons_main.o : lr_lanczos.o lr_magnons_main.o : lr_variables.o diff --git a/UtilXlib/CMakeLists.txt b/UtilXlib/CMakeLists.txt index aa9e1f841..4463139ff 100644 --- a/UtilXlib/CMakeLists.txt +++ b/UtilXlib/CMakeLists.txt @@ -11,8 +11,10 @@ set(src_util mp_bands_util.f90 nvtx_wrapper.f90 parallel_include.f90 + print_mem.f90 util_param.f90 thread_util.f90 + clib_wrappers.f90 export_gstart_2_solvers.f90 set_mpi_comm_4_solvers.f90 # GPU @@ -102,9 +104,7 @@ if(QE_ENABLE_TEST) PRIVATE qe_utilx qe_utilx_tests - qe_mpi_fortran - qe_modules - qe_lapack) + qe_mpi_fortran) add_unit_test(${TGT_NAME} 1 1 $) ENDFOREACH(NAME) endif() diff --git a/UtilXlib/Makefile b/UtilXlib/Makefile index 9b5c0bdd6..d3ca30a5f 100644 --- a/UtilXlib/Makefile +++ b/UtilXlib/Makefile @@ -5,7 +5,8 @@ include ../make.inc # location of needed modules and included files (if any) MODFLAGS=$(MOD_FLAG). -UTIL = clocks_handler.o \ +UTIL = clib_wrappers.o \ +clocks_handler.o \ device_helper.o \ divide.o \ data_buffer.o \ @@ -19,6 +20,7 @@ mp_base.o \ mp_base_gpu.o \ mp_bands_util.o \ parallel_include.o \ +print_mem.o\ set_mpi_comm_4_solvers.o \ util_param.o \ thread_util.o \ diff --git a/Modules/wrappers.f90 b/UtilXlib/clib_wrappers.f90 similarity index 99% rename from Modules/wrappers.f90 rename to UtilXlib/clib_wrappers.f90 index 750fec77f..f87cfa302 100644 --- a/Modules/wrappers.f90 +++ b/UtilXlib/clib_wrappers.f90 @@ -6,7 +6,7 @@ ! or http://www.gnu.org/copyleft/gpl.txt . ! !-------------------------------------------------------------------------- -MODULE wrappers +MODULE clib_wrappers !------------------------------------------------------------------------ !! This module contains fortran wrappers to POSIX system calls. !! The wrappers are used to convert the Fortran CHARACTER array to @@ -18,7 +18,7 @@ MODULE wrappers ! NOTE: the mkdir function is NOT called directly as it returns error if ! directory already exists. We use instead a C wrapper c_mkdir_safe ! - USE kinds, ONLY : DP + USE util_param, ONLY : DP USE ISO_C_BINDING IMPLICIT NONE ! diff --git a/UtilXlib/make.depend b/UtilXlib/make.depend index 91c4fd3e3..a4a5c2adb 100644 --- a/UtilXlib/make.depend +++ b/UtilXlib/make.depend @@ -1,3 +1,4 @@ +clib_wrappers.o : util_param.o clocks_handler.o : nvtx_wrapper.o clocks_handler.o : parallel_include.o clocks_handler.o : util_param.o @@ -18,6 +19,7 @@ mp_base.o : util_param.o mp_base_gpu.o : data_buffer.o mp_base_gpu.o : parallel_include.o mp_base_gpu.o : util_param.o +print_mem.o : clib_wrappers.o set_mpi_comm_4_solvers.o : mp_bands_util.o thread_util.o : util_param.o util_param.o : parallel_include.o diff --git a/UtilXlib/nvtx_wrapper.f90 b/UtilXlib/nvtx_wrapper.f90 index d7b5a5629..0f8aa37a8 100644 --- a/UtilXlib/nvtx_wrapper.f90 +++ b/UtilXlib/nvtx_wrapper.f90 @@ -80,7 +80,7 @@ contains integer, optional:: id #ifdef __PROFILE_NVTX type(nvtxEventAttributes):: event -#ifdef __CUDA && __SYNC_NVPROF +#if defined(__CUDA) && defined(__SYNC_NVPROF) integer :: istat istat = cudaDeviceSynchronize() #endif @@ -118,7 +118,7 @@ contains subroutine nvtxEndRange #ifdef __PROFILE_NVTX -#ifdef __CUDA && __SYNC_NVPROF +#if defined(__CUDA) && defined(__SYNC_NVPROF) integer :: istat istat = cudaDeviceSynchronize() #endif diff --git a/Modules/print_mem.f90 b/UtilXlib/print_mem.f90 similarity index 95% rename from Modules/print_mem.f90 rename to UtilXlib/print_mem.f90 index 7313184d6..2bf173cda 100644 --- a/Modules/print_mem.f90 +++ b/UtilXlib/print_mem.f90 @@ -8,7 +8,7 @@ subroutine print_mem_usage (out_unit, title) !! in human-readable format. Uses a standard f90 call. ! - use wrappers, only : memstat, get_mem_usage, get_mem_avail + use clib_wrappers, only : memstat, get_mem_usage, get_mem_avail implicit none integer, intent(in) :: out_unit character(len=*), intent(in) :: title