[Thermo_pw-forum] Compilation error

[Peter Derlet]

Dear All,

concerning my compiling error, I had inadvertently installed an older 
version of QE (6.6). With 6.7, all compiles.

Kind regards,

Peter

-- 
Prof. Dr. Peter Derlet
Condensed Matter Theory, Paul Scherrer Institut - Department of Materials, ETH Zurich
ph:  +41 (0)56 310 3164
web: www.psi.ch/en/lsm/people/peter-michael-derlet

On 6/30/21 9:35 AM, Peter Derlet wrote:
> To the thermo_pw community
>
> I have a problem in compiling the thermo_pw (1.4.1) code on our local 
> linux farm (Red Hat Enterprise Linux Server release 7.9 (Maipo)). For 
> compiling i use gcc/9.3.0 and openmpi/4.0.5_slurm, which also allows 
> for successful installation and running of qe 6.7 . I am not sure how 
> standard the openmpi version is, however it specific to the SLURM 
> queuing system we use here.
>
> The error appears below resulting in the termination of the compile:
>
> /opt/psi/Compiler/openmpi/4.0.5_slurm/gcc/9.3.0/bin/mpif90 -O3 -g -cpp 
> -D__FFTW3 -D__MPI   -I/psi/home/derlet/software/q-e//include 
> -I/psi/home/derlet/software/q-e//FoX/finclude 
> -I/psi/home/derlet/software/q-e//upflib 
> -I/psi/home/derlet/software/q-e//XClib 
> -I/psi/home/derlet/software/q-e//Modules 
> -I/psi/home/derlet/software/q-e//FFTXlib 
> -I/psi/home/derlet/software/q-e//LAXlib 
> -I/psi/home/derlet/software/q-e//UtilXlib 
> -I/psi/home/derlet/software/q-e//MBD 
> -I/psi/home/derlet/software/q-e//FoX/finclude -I../../PW/src 
> -I../../dft-d3 -I../../LR_Modules -I../../PHonon/PH -I../lib -I. -c 
> addnlcc_zstar_eu_us.f90
> addnlcc_zstar_eu_us.f90:15:23:
>
>    15 |   USE funct,     ONLY : dft_is_gradient, dft_is_nonlocc
>       |                       1
> Error: Symbol ‘dft_is_gradient’ referenced at (1) not found in module 
> ‘funct’
> addnlcc_zstar_eu_us.f90:82:16:
>
>    82 |            IF ( dft_is_gradient() ) &
>       |                1
> Error: Function ‘dft_is_gradient’ at (1) has no IMPLICIT type
> make[1]: *** [addnlcc_zstar_eu_us.o] Error 1
> make[1]: Leaving directory `/psi/home/derlet/software/q-e/thermo_pw/qe'
> make: *** [thermo_qe] Error 1
>
> Does anyone have an idea of what might be going wrong?
>
> Kind regards,
>
> Peter
>