[Pw_forum] 4.3 compile error.

Vit vitruss at gmail.com
Sun Apr 3 13:41:28 CEST 2011


Dear QE users!
I'm having troubles compiling new release. I'm trying to use ACML where 
apllicable, but I'm getting the same error even with distro (debian 6.0.1) 
blas and lapack and internal fftw.
Could you please help me resolving this issue?

mpif90 -g -o turbo_lanczos.x \                                                                                   
                lr_variables.o lr_charg_resp.o bcast_lr_input.o lr_readin.o 
lr_alloc_init.o lr_calc_dens.o lr_dot.o lr_dealloc.o lr_ortho.o lr_read_wf.o 
lr_normalise.o lr_lanczos.o lr_apply_liouvillian.o lr_main.o lr_dv_setup.o 
lr_setup_dgc.o lr_solve_e.o lr_dvpsi_e.o lr_ch_psi_all.o lr_cgsolve_all.o 
lr_h_psiq.o lr_sm1_psi.o stop_lr.o lr_read_d0psi.o lr_restart.o 
lr_write_restart.o print_clock_lr.o sd0psi.o lr_set_boxes_density.o 
lr_init_nfo.o  ../../PH/libph.a ../../PW/libpw.a ../../Modules/libqemod.a 
../../flib/ptools.a ../../flib/flib.a ../../clib/clib.a 
../../iotk/src/libiotk.a   -L/opt/acml4.4.0/gfortran64/lib -lacml -
L/opt/acml4.4.0/gfortran64/lib -lacml -L/opt/acml4.4.0/gfortran64/lib -lacml                                                                                    
lr_main.o: In function `lr_main':                                                                                
/opt/qe/4.3/TDDFPT/src/lr_main.f90:252: undefined reference to `lr_wri_'                                         
collect2: ld returned 1 exit status                                                                              
make[2]: *** [turbo_lanczos.x] Error 1                                                                           
make[2]: Leaving directory `/opt/qe/4.3/TDDFPT/src'                                                              
make[2]: Entering directory `/opt/qe/4.3/TDDFPT/tools'                                                           
test -n "" && ( cd ../.. ; make -w  || exit 1) || :                                                              
mpif90 -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__ACML -D__MPI -
D__PARA -I../../include -I../../iotk/src -I../../Modules -I. -c 
tddfpt_calculate_spectrum.f90                                                           
mpif90 -g -o turbo_spectrum.x \                                                                                  
        tddfpt_calculate_spectrum.o ../../Modules/libqemod.a ../../PW/libpw.a 
../../flib/ptools.a ../../flib/flib.a ../../clib/clib.a 
../../iotk/src/libiotk.a   -L/opt/acml4.4.0/gfortran64/lib -lacml -
L/opt/acml4.4.0/gfortran64/lib -lacml -L/opt/acml4.4.0/gfortran64/lib -lacml                                                              
( cd ../../bin ; ln -fs ../TDDFPT/tools/turbo_spectrum.x . )                                                     
if [ -d ../bin ] ; then  ( cd ../bin ; ln -fs ../tools/turbo_spectrum.x . ); 
fi                                  
make[2]: Leaving directory `/opt/qe/4.3/TDDFPT/tools'                                                            
make[1]: Leaving directory `/opt/qe/4.3/TDDFPT'       

With best regards,
Koroteev Victor.


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