[Pw_forum] Compilation error with Environ and TDDFPT

[Timrov Iurii]

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

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