[Pw_forum] Compilation error with Environ and TDDFPT

[Rolly Ng]

Dear lurii,


Thanks for the prompt reply.


I have found the source of error, there is a parameter "FDFLAGS = 
$(DFLAGS) $(MANUAL_DFLAGS)" in the default make.sys. This is why the 
-D__ENVIRON parameters appeared twice before the error message.


I have commented "FDFLAGS" out and it complies okay.


Regards,

Rolly


On Tuesday, January 23, 2018 09:31 PM, Timrov Iurii wrote:
>
> Dear Rolly,
>
>
> Try to follow the instructions about a compilation of TDDFPT + ENVIRON 
> exactly. Namely, first modify make.sys (or make.inc in the more recent 
> versions of QE) and run the script makedeps.sh in /install and only 
> then compile TDDFPT. Do not do "make all" before.
>
>
> Why don't you try to use the latest versions of QE and ENVIRON?
>
>
> HTH
>
>
> Regards,
>
> Iurii
>
>
> --
> Dr. Iurii Timrov
> Postdoctoral Researcher
> Swiss Federal Institute of Technology Lausanne (EPFL)
> Laboratory of Theory and Simulation of Materials (THEOS)
> CH-1015 Lausanne, Switzerland
> +41 21 69 34 881
> ------------------------------------------------------------------------
> *From:* pw_forum-bounces at pwscf.org <pw_forum-bounces at pwscf.org> on 
> behalf of Rolly Ng <rollyng at gmail.com>
> *Sent:* Tuesday, January 23, 2018 2:02 PM
> *To:* 'PWSCF Forum'
> *Subject:* [Pw_forum] Compilation error with Environ and TDDFPT
>
> Dear Environ Developers,
>
> I am trying to compile Environ 0.2 with QE v5.3.0.
>
> Compilation with PW, NEB and CP are okay following the instruction here,
>
> http://www.quantum-environment.org/installation.html
>
> However, as I compile with  TDDFPT, it shows
>
> ifort -O2 -assume byterecl -g -traceback -par-report0 -vec-report0 
> -openmp -nomodule -openmp -fpp -D__INTEL -D__OPENMP -D__FFTW -D__PARA 
> -D__ENVIRON -D__ENVIRON -I../../include -I../../iotk/src 
> -I../../Modules -I../../FFTXlib -I . -I../../PW/src -I../../PHonon/PH 
> -c lr_readin.f90
>
> lr_readin.f90(456): error #6404: This name does not have a type, and 
> must have an explicit type.   [ASSUME_ISOLATED]
>
> assume_isolated = 'makov-payne'
>
> --------^
>
> compilation aborted for lr_readin.f90 (code 1)
>
> make[3]: *** [lr_readin.o] Error 1
>
> make[3]: Leaving directory 
> `/home/rollyng/QE530-CPU-haswell/espresso-5.3.0/TDDFPT/src'
>
> make[2]: *** [tddfpt] Error 1
>
> make[2]: Leaving directory 
> `/home/rollyng/QE530-CPU-haswell/espresso-5.3.0/TDDFPT'
>
> make[1]: *** [tddfpt] Error 1
>
> make[1]: Leaving directory 
> `/home/rollyng/QE530-CPU-haswell/espresso-5.3.0/install'
>
> make: *** [tddfpt] Error 1
>
> However, before adding the Environ plugin, make all does produce the 
> turbo_xxx.x executables in the bin directory.
>
> Please help and thank you!
>
> Regards,
>
> Rolly
>
> PhD, Research Fellow,
>
> Department of Materials Science and Engineering,
>
> City University of Hong Kong
>
> Tel: +852 3442 4000
>
> Fax: +852 3442 0892
>
>
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum

-- 
PhD, Research Fellow,
Department of Materials Science and Engineering,
City University of Hong Kong
Tel: +852 3442 4000
Fax: +852 3442 0892

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