Commit 0a37b56e authored by marsamos's avatar marsamos

PH/src compiling



git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@8113 c92efa57-630b-4861-b058-cf58834340f0
parent f30673ef
This diff is collapsed.
......@@ -5,18 +5,18 @@ bcast_ph_input.o : ../../Modules/io_global.o
bcast_ph_input.o : ../../Modules/ions_base.o
bcast_ph_input.o : ../../Modules/mp.o
bcast_ph_input.o : ../../Modules/run_info.o
bcast_ph_input.o : ../../PH/phcom.o
bcast_ph_input.o : ../../PH/ramanm.o
bcast_ph_input.o : ../../PH/src/phcom.o
bcast_ph_input.o : ../../PH/src/ramanm.o
bcast_ph_input.o : ../pw4gww/wannier_gw.o
bcast_ph_input1.o : ../../Modules/io_global.o
bcast_ph_input1.o : ../../Modules/mp.o
bcast_ph_input1.o : ../../PH/phcom.o
bcast_ph_input1.o : ../../PH/src/phcom.o
close_phq.o : ../../Modules/control_flags.o
close_phq.o : ../../Modules/io_files.o
close_phq.o : ../../Modules/mp_global.o
close_phq.o : ../../Modules/uspp.o
close_phq.o : ../../PH/phcom.o
close_phq.o : ../../PH/ramanm.o
close_phq.o : ../../PH/src/phcom.o
close_phq.o : ../../PH/src/ramanm.o
close_phq.o : ../pw4gww/wannier_gw.o
head.o : ../../Modules/check_stop.o
head.o : ../../Modules/control_flags.o
......@@ -27,10 +27,10 @@ head.o : ../../Modules/io_global.o
head.o : ../../Modules/ions_base.o
head.o : ../../Modules/kind.o
head.o : ../../Modules/mp_global.o
head.o : ../../PH/ph_restart.o
head.o : ../../PH/phcom.o
head.o : ../../PH/ramanm.o
head.o : ../../PH/save_ph_input.o
head.o : ../../PH/src/ph_restart.o
head.o : ../../PH/src/phcom.o
head.o : ../../PH/src/ramanm.o
head.o : ../../PH/src/save_ph_input.o
head.o : ../../PW/io_rho_xml.o
head.o : ../../PW/noncol.o
head.o : ../../PW/pwcom.o
......@@ -44,9 +44,9 @@ openfilq.o : ../../Modules/io_global.o
openfilq.o : ../../Modules/kind.o
openfilq.o : ../../Modules/mp_global.o
openfilq.o : ../../Modules/uspp.o
openfilq.o : ../../PH/phcom.o
openfilq.o : ../../PH/ramanm.o
openfilq.o : ../../PH/save_ph_input.o
openfilq.o : ../../PH/src/phcom.o
openfilq.o : ../../PH/src/ramanm.o
openfilq.o : ../../PH/src/save_ph_input.o
openfilq.o : ../../PW/noncol.o
openfilq.o : ../../PW/pwcom.o
openfilq.o : ../pw4gww/wannier_gw.o
......@@ -62,7 +62,7 @@ phq_init.o : ../../Modules/mp_global.o
phq_init.o : ../../Modules/recvec.o
phq_init.o : ../../Modules/uspp.o
phq_init.o : ../../Modules/wavefunctions.o
phq_init.o : ../../PH/phcom.o
phq_init.o : ../../PH/src/phcom.o
phq_init.o : ../../PW/becmod.o
phq_init.o : ../../PW/noncol.o
phq_init.o : ../../PW/pwcom.o
......@@ -81,10 +81,10 @@ phq_readin.o : ../../Modules/parameters.o
phq_readin.o : ../../Modules/paw_variables.o
phq_readin.o : ../../Modules/run_info.o
phq_readin.o : ../../Modules/uspp.o
phq_readin.o : ../../PH/ph_restart.o
phq_readin.o : ../../PH/phcom.o
phq_readin.o : ../../PH/ramanm.o
phq_readin.o : ../../PH/save_ph_input.o
phq_readin.o : ../../PH/src/ph_restart.o
phq_readin.o : ../../PH/src/phcom.o
phq_readin.o : ../../PH/src/ramanm.o
phq_readin.o : ../../PH/src/save_ph_input.o
phq_readin.o : ../../PW/noncol.o
phq_readin.o : ../../PW/pwcom.o
phq_readin.o : ../pw4gww/wannier_gw.o
......@@ -100,7 +100,7 @@ solve_head.o : ../../Modules/mp_global.o
solve_head.o : ../../Modules/recvec.o
solve_head.o : ../../Modules/uspp.o
solve_head.o : ../../Modules/wavefunctions.o
solve_head.o : ../../PH/phcom.o
solve_head.o : ../../PH/src/phcom.o
solve_head.o : ../../PW/becmod.o
solve_head.o : ../../PW/pwcom.o
solve_head.o : ../../PW/realus.o
......
HELPDOC=../../dev-tools/helpdoc
LATEX = pdflatex
LATEX2HTML = latex2html
PDFS = user_guide.pdf
AUXS = $(PDFS:.pdf=.aux)
LOGS = $(PDFS:.pdf=.log)
OUTS = $(PDFS:.pdf=.out)
TOCS = $(PDFS:.pdf=.toc)
doc: all
all: pdf html defs
pdf: $(PDFS)
html: user_guide
$(PDFS): %.pdf: %.tex
$(LATEX) $<
$(LATEX) $<
clean:
- rm -f $(PDFS) $(AUXS) $(LOGS) $(OUTS) $(TOCS) *~
- rm -rf user_guide/
- rm -f INPUT_*.html INPUT_*.txt INPUT_*.xml
- rm -rf ../../Doc/INPUT_CP*.*
user_guide: user_guide.pdf
rm -rf user_guide/
latex2html \
-t "User's Guide for The Quantum ESPRESSO Car-Parrinello Molecular Dynamics" \
-html_version 3.2,math \
-toc_depth 5 -split 5 -toc_stars -show_section_numbers \
-local_icons -image_type png \
user_guide.tex
cd user_guide; \
for file in *.html; do \
cp $$file /tmp/$$file; \
cat /tmp/$$file | sed 's/HREF="http/NAME="http/g' | sed 's/mathend000#//g' - > $$file; \
rm -f /tmp/$$file; \
done
@echo ""
@echo "***"
@echo "*** User's Guide created in user_guide/user_guide.html"
@echo "***"
@echo ""
defs: INPUT_CP.html INPUT_CP.txt INPUT_CPPP.html INPUT_CPPP.txt link_on_main_doc
INPUT_CP.html: %.html: %.def
$(HELPDOC) $<
INPUT_CP.txt: %.txt: %.def
$(HELPDOC) $<
INPUT_CPPP.html: %.html: %.def
$(HELPDOC) $<
INPUT_CPPP.txt: %.txt: %.def
$(HELPDOC) $<
link_on_main_doc:
-( cd ../../Doc ; ln -fs ../CPV/Doc/INPUT_CP.html . ; \
ln -fs ../CPV/Doc/INPUT_CP.xml . ; \
ln -fs ../CPV/Doc/INPUT_CP.txt . ; \
ln -fs ../CPV/Doc/INPUT_CPPP.html . ; \
ln -fs ../CPV/Doc/INPUT_CPPP.xml . ; \
ln -fs ../CPV/Doc/INPUT_CPPP.txt)
# Makefile for phonon (PH)
# Makefile for PH
# Adapted from TDDFPT main Makefile
include ../make.sys
default: all
# location of needed modules
MODFLAGS= $(MOD_FLAG)../iotk/src $(MOD_FLAG)../Modules \
$(MOD_FLAG)../PW $(MOD_FLAG).
all:
if test -d src ; then \
( cd src ; if test "$(MAKE)" = "" ; then make $(MFLAGS) $@; \
else $(MAKE) $(MFLAGS) $@ ; fi ) ; fi ; \
PHOBJS = \
acfdtest.o \
add_dkmds.o \
add_for_charges.o \
add_zstar_ue.o \
add_zstar_ue_us.o \
addcore.o \
adddvepsi_us.o \
adddvscf.o \
addnlcc.o \
addnlcc_zstar_eu_us.o \
addusdbec.o \
addusdbec_nc.o \
addusddens.o \
addusddense.o \
addusdynmat.o \
addusldos.o \
allocate_part.o \
allocate_pert.o \
allocate_phq.o \
apply_dpot.o \
bcast_ph_input.o \
cch_psi_all.o \
cg_psi.o \
ccg_psi.o \
cgsolve_all.o \
cgsolve_all_imfreq.o \
ch_psi_all.o \
check_initial_status.o \
check_q_points_sym.o \
check_restart_recover.o \
clean_pw_ph.o \
clinear.o \
close_phq.o \
compute_alphasum.o \
compute_becalp.o \
compute_becsum_ph.o \
compute_drhous.o \
compute_drhous_nc.o \
compute_dvloc.o \
compute_nldyn.o \
compute_vsgga.o \
compute_weight.o \
deallocate_part.o \
deallocate_phq.o \
d2ionq.o \
davcio_drho.o \
dgradcorr.o \
dielec.o \
drho.o \
drhodv.o \
drhodvloc.o \
drhodvnl.o \
drhodvus.o \
dv_of_drho.o \
dvanqq.o \
dvkb3.o \
dvpsi_e.o \
dvqpsi_us.o \
dvqpsi_us_only.o \
dyndia.o \
dynmat0.o \
dynmat_us.o \
dynmatcc.o \
dynmatrix.o \
ef_shift.o \
ep_matrix_element_wannier.o \
elph.o \
el_ph_collect.o \
elphon.o \
find_equiv_sites.o \
find_mode_sym.o \
generate_dynamical_matrix_c.o \
generate_effective_charges_c.o \
gmressolve_all.o \
h_psiq.o \
incdrhoscf.o \
incdrhoscf_nc.o \
incdrhous.o \
incdrhous_nc.o \
initialize_ph.o \
init_representations.o \
io_dyn_mat.o \
io_pattern.o \
localdos.o \
mode_group.o \
newdq.o \
openfilq.o \
open_dvscf_star_q.o \
orthogonalize.o \
phcom.o \
ph_restart.o \
phescf.o \
phq_init.o \
phq_readin.o \
phq_recover.o \
phq_setup.o \
phq_summary.o \
phqscf.o \
polariz.o \
print_clock_ph.o \
prepare_q.o \
prepare_sym_analysis.o \
psidspsi.o \
psymdvscf.o \
psyme.o \
psym_dmag.o \
psym_dmage.o \
punch_plot_e.o \
punch_plot_ph.o \
q_points.o \
q2qstar_ph.o \
qdipol_cryst.o \
random_matrix.o \
rotate_and_add_dyn.o \
run_pwscf.o \
save_ph_input.o \
set_asr_c.o \
set_defaults_pw.o \
set_drhoc.o \
set_int12_nc.o \
set_irr.o \
set_irr_mode.o \
set_irr_nosym.o \
set_irr_sym.o \
setlocq.o \
setqmod.o \
setup_dgc.o \
sgam_ph.o \
smallgq.o \
solve_e.o \
solve_e_fpol.o \
solve_linter.o \
star_q.o \
stop_ph.o \
summarize.o \
sym_and_write_zue.o \
sym_def.o \
sym_dmag.o \
sym_dmage.o \
symdvscf.o \
symdyn_munu.o \
symdynph_gq.o \
syme.o \
symm.o \
transform_int_so.o \
transform_int_nc.o \
transform_alphasum_nc.o \
transform_alphasum_so.o \
transform_dbecsum_so.o \
transform_dbecsum_nc.o \
tra_write_matrix.o \
trntnsc.o \
write_dyn_on_file.o \
write_epsilon_and_zeu.o \
write_matrix.o \
write_rec.o \
xk_wk_collect.o \
zstar_eu.o \
zstar_eu_us.o
RAMAN = \
cft_wave.o \
psyme2.o \
chi_test.o \
dielec_test.o \
dvpsi_e2.o \
el_opt.o \
hdiag.o \
pcgreen.o \
ramanm.o \
syme2.o \
solve_e2.o \
solve_e_nscf.o \
write_ramtns.o \
d2mxc.o \
raman_mat.o\
raman.o \
dhdrhopsi.o\
set_dvscf.o
PWOBJS = ../PW/libpw.a
QEMODS = ../Modules/libqemod.a
TLDEPS= bindir mods libs pw
all : tldeps libph.a ph.x dynmat.x matdyn.x q2r.x lambda.x fqha.x
ph.x : phonon.o libph.a $(PWOBJS) $(LIBOBJS)
$(LD) $(LDFLAGS) -o ph.x phonon.o libph.a \
$(PWOBJS) $(QEMODS) $(LIBOBJS) $(LIBS)
- ( cd ../bin ; ln -fs ../PH/ph.x . )
dynmat.x : dynmat.o rigid.o libph.a $(PWOBJS) $(MODULES) $(LIBOBJS)
$(LD) $(LDFLAGS) -o $@ dynmat.o rigid.o libph.a \
$(PWOBJS) $(QEMODS) $(LIBOBJS) $(LIBS)
- ( cd ../bin ; ln -fs ../PH/$@ . )
matdyn.x : matdyn.o rigid.o libph.a $(PWOBJS) $(MODULES) $(LIBOBJS)
$(LD) $(LDFLAGS) -o $@ matdyn.o rigid.o libph.a \
$(PWOBJS) $(QEMODS) $(LIBOBJS) $(LIBS)
- ( cd ../bin ; ln -fs ../PH/$@ . )
q2r.x : q2r.o rigid.o libph.a $(PWOBJS) $(MODULES) $(LIBOBJS)
$(LD) $(LDFLAGS) -o $@ q2r.o rigid.o libph.a \
$(PWOBJS) $(QEMODS) $(LIBOBJS) $(LIBS)
- ( cd ../bin ; ln -fs ../PH/$@ . )
lambda.x : lambda.o $(PWOBJS) $(QEMODS) $(LIBOBJS)
$(LD) $(LDFLAGS) -o $@ lambda.o \
$(PWOBJS) $(QEMODS) $(LIBOBJS) $(LIBS)
- ( cd ../bin ; ln -fs ../PH/$@ . )
fqha.o :
$(MPIF90) $(FFLAGS_NOOPT) -c fqha.f90
fqha.x : fqha.o $(PWOBJS) $(QEMODS) $(LIBOBJS)
$(LD) $(LDFLAGS) -o $@ fqha.o \
$(PWOBJS) $(QEMODS) $(LIBOBJS) $(LIBS)
- ( cd ../bin ; ln -fs ../PH/$@ . )
clean :
if test -d src ; then \
( cd src ; if test "$(MAKE)" = "" ; then make clean ; \
else $(MAKE) clean ; fi ) ; fi ;\
tldeps:
test -n "$(TLDEPS)" && ( cd .. ; $(MAKE) $(MFLAGS) $(TLDEPS) || exit 1) || :
distclean: clean
libph.a : $(PHOBJS) $(RAMAN)
$(AR) $(ARFLAGS) $@ $?
$(RANLIB) $@
clean :
- /bin/rm -f *.x *.o *.a *~ *.F90 *.d *.mod *.i *.L
include make.depend
# DO NOT DELETE
This diff is collapsed.
# Makefile for phonon (PH)
include ../../make.sys
# location of needed modules
MODFLAGS= $(MOD_FLAG)../../iotk/src $(MOD_FLAG)../../Modules \
$(MOD_FLAG)../../PW $(MOD_FLAG).
PHOBJS = \
acfdtest.o \
add_dkmds.o \
add_for_charges.o \
add_zstar_ue.o \
add_zstar_ue_us.o \
addcore.o \
adddvepsi_us.o \
adddvscf.o \
addnlcc.o \
addnlcc_zstar_eu_us.o \
addusdbec.o \
addusdbec_nc.o \
addusddens.o \
addusddense.o \
addusdynmat.o \
addusldos.o \
allocate_part.o \
allocate_pert.o \
allocate_phq.o \
apply_dpot.o \
bcast_ph_input.o \
cch_psi_all.o \
cg_psi.o \
ccg_psi.o \
cgsolve_all.o \
cgsolve_all_imfreq.o \
ch_psi_all.o \
check_initial_status.o \
check_q_points_sym.o \
check_restart_recover.o \
clean_pw_ph.o \
clinear.o \
close_phq.o \
compute_alphasum.o \
compute_becalp.o \
compute_becsum_ph.o \
compute_drhous.o \
compute_drhous_nc.o \
compute_dvloc.o \
compute_nldyn.o \
compute_vsgga.o \
compute_weight.o \
deallocate_part.o \
deallocate_phq.o \
d2ionq.o \
davcio_drho.o \
dgradcorr.o \
dielec.o \
drho.o \
drhodv.o \
drhodvloc.o \
drhodvnl.o \
drhodvus.o \
dv_of_drho.o \
dvanqq.o \
dvkb3.o \
dvpsi_e.o \
dvqpsi_us.o \
dvqpsi_us_only.o \
dyndia.o \
dynmat0.o \
dynmat_us.o \
dynmatcc.o \
dynmatrix.o \
ef_shift.o \
ep_matrix_element_wannier.o \
elph.o \
el_ph_collect.o \
elphon.o \
find_equiv_sites.o \
find_mode_sym.o \
generate_dynamical_matrix_c.o \
generate_effective_charges_c.o \
gmressolve_all.o \
h_psiq.o \
incdrhoscf.o \
incdrhoscf_nc.o \
incdrhous.o \
incdrhous_nc.o \
initialize_ph.o \
init_representations.o \
io_dyn_mat.o \
io_pattern.o \
localdos.o \
mode_group.o \
newdq.o \
openfilq.o \
open_dvscf_star_q.o \
orthogonalize.o \
phcom.o \
ph_restart.o \
phescf.o \
phq_init.o \
phq_readin.o \
phq_recover.o \
phq_setup.o \
phq_summary.o \
phqscf.o \
polariz.o \
print_clock_ph.o \
prepare_q.o \
prepare_sym_analysis.o \
psidspsi.o \
psymdvscf.o \
psyme.o \
psym_dmag.o \
psym_dmage.o \
punch_plot_e.o \
punch_plot_ph.o \
q_points.o \
q2qstar_ph.o \
qdipol_cryst.o \
random_matrix.o \
rotate_and_add_dyn.o \
run_pwscf.o \
save_ph_input.o \
set_asr_c.o \
set_defaults_pw.o \
set_drhoc.o \
set_int12_nc.o \
set_irr.o \
set_irr_mode.o \
set_irr_nosym.o \
set_irr_sym.o \
setlocq.o \
setqmod.o \
setup_dgc.o \
sgam_ph.o \
smallgq.o \
solve_e.o \
solve_e_fpol.o \
solve_linter.o \
star_q.o \
stop_ph.o \
summarize.o \
sym_and_write_zue.o \
sym_def.o \
sym_dmag.o \
sym_dmage.o \
symdvscf.o \
symdyn_munu.o \
symdynph_gq.o \
syme.o \
symm.o \
transform_int_so.o \
transform_int_nc.o \
transform_alphasum_nc.o \
transform_alphasum_so.o \
transform_dbecsum_so.o \
transform_dbecsum_nc.o \
tra_write_matrix.o \
trntnsc.o \
write_dyn_on_file.o \
write_epsilon_and_zeu.o \
write_matrix.o \
write_rec.o \
xk_wk_collect.o \
zstar_eu.o \
zstar_eu_us.o
RAMAN = \
cft_wave.o \
psyme2.o \
chi_test.o \
dielec_test.o \
dvpsi_e2.o \
el_opt.o \
hdiag.o \
pcgreen.o \
ramanm.o \
syme2.o \
solve_e2.o \
solve_e_nscf.o \
write_ramtns.o \
d2mxc.o \
raman_mat.o\
raman.o \
dhdrhopsi.o\
set_dvscf.o
PWOBJS = ../../PW/libpw.a
QEMODS = ../../Modules/libqemod.a
LIBOBJS = ../../flib/ptools.a ../../flib/flib.a ../../clib/clib.a ../../iotk/src/libiotk.a
TLDEPS= bindir mods libs pw
all : tldeps libph.a ph.x dynmat.x matdyn.x q2r.x lambda.x fqha.x
ph.x : phonon.o libph.a $(PWOBJS) $(LIBOBJS)
$(LD) $(LDFLAGS) -o ph.x phonon.o libph.a \
$(PWOBJS) $(QEMODS) $(LIBOBJS) $(LIBS)
- ( cd ../../bin ; ln -fs ../PH/src/ph.x . )
dynmat.x : dynmat.o rigid.o libph.a $(PWOBJS) $(MODULES) $(LIBOBJS)
$(LD) $(LDFLAGS) -o $@ dynmat.o rigid.o libph.a \
$(PWOBJS) $(QEMODS) $(LIBOBJS) $(LIBS)
- ( cd ../../bin ; ln -fs ../PH/src/$@ . )
matdyn.x : matdyn.o rigid.o libph.a $(PWOBJS) $(MODULES) $(LIBOBJS)
$(LD) $(LDFLAGS) -o $@ matdyn.o rigid.o libph.a \
$(PWOBJS) $(QEMODS) $(LIBOBJS) $(LIBS)
- ( cd ../../bin ; ln -fs ../PH/src/$@ . )
q2r.x : q2r.o rigid.o libph.a $(PWOBJS) $(MODULES) $(LIBOBJS)
$(LD) $(LDFLAGS) -o $@ q2r.o rigid.o libph.a \
$(PWOBJS) $(QEMODS) $(LIBOBJS) $(LIBS)
- ( cd ../../bin ; ln -fs ../PH/src/$@ . )
lambda.x : lambda.o $(PWOBJS) $(QEMODS) $(LIBOBJS)
$(LD) $(LDFLAGS) -o $@ lambda.o \
$(PWOBJS) $(QEMODS) $(LIBOBJS) $(LIBS)
- ( cd ../../bin ; ln -fs ../PH/src/$@ . )
fqha.o :
$(MPIF90) $(FFLAGS_NOOPT) -c fqha.f90
fqha.x : fqha.o $(PWOBJS) $(QEMODS) $(LIBOBJS)
$(LD) $(LDFLAGS) -o $@ fqha.o \
$(PWOBJS) $(QEMODS) $(LIBOBJS) $(LIBS)
- ( cd ../../bin ; ln -fs ../PH/src/$@ . )
tldeps:
test -n "$(TLDEPS)" && ( cd ../.. ; $(MAKE) $(MFLAGS) $(TLDEPS) || exit 1) || :
libph.a : $(PHOBJS) $(RAMAN)
$(AR) $(ARFLAGS) $@ $?
$(RANLIB) $@
clean :
- /bin/rm -f *.x *.o *.a *~ *.F90 *.d *.mod *.i *.L
- /bin/rm -rf ../../bin/ph.x ../../bin/dynmat.x ../../bin/matdyn.x \
../../bin/q2r.x ../../bin/lambda.x ../../bin/fqha.x
include make.depend
# DO NOT DELETE