Move Modules/wrappers.f90 to UtilXlib/clib_wrappers.f90

This commit is contained in:
Ye Luo 2021-06-19 19:29:51 -05:00
parent 6e4229350d
commit a4c6bfaa99
35 changed files with 51 additions and 54 deletions

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@ -162,7 +162,6 @@ target_link_libraries(qe_cpv_cppp_exe
PRIVATE
qe_modules
qe_cpv
qe_clib
qe_xclib)
###########################################################

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@ -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, &

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@ -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

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@ -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

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@ -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
!

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@ -14,7 +14,7 @@
MODULE fake_cond_mod
USE kinds, ONLY : DP
USE wrappers, ONLY : memstat
USE clib_wrappers, ONLY : memstat
IMPLICIT NONE
SAVE

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@ -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

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@ -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

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@ -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 \

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@ -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

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@ -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
!

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@ -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

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@ -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
!

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@ -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

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@ -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

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@ -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

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@ -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

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@ -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

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@ -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

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@ -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

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@ -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

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@ -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

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@ -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

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@ -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

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@ -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

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@ -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

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@ -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

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@ -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

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@ -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

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@ -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 $<TARGET_FILE:${TGT_NAME}>)
ENDFOREACH(NAME)
endif()

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@ -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 \

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@ -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
!

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@ -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

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@ -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

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@ -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