are you sure that you are using qe-6.3.
The wavefunction_module has been renamed just after the release so its
current name is wavefunctions.
If you are actually using the development branch of the repository you
should indeed meet this issue.
If this is the case before merging thermo_pw you should revert to qe-6.3.
If you are using a git repository it is quite simple to do it just do
git checkout qe-6.3
and git checkout -b <branch-name>
to save the current status in a local branch
otherwise just download the tarball of the qe-6.3 release.
On 31/07/2018 07:28, Christoph Wolf wrote:
Dear all,
after reading up on the possibility to calculate "bulk projected
bands" I found that thermo_pw should be able to do this. However I am
unable to compile the latest version with qe 6.3.
My ./configure log is attached. I can build the entire QE package
(except yambo - that one never works out of the box) using intel MKL
and compilers by issuing
/./configure --enable-shared --enable-parallel
--with-scalapack=intel CC=mpicc F77=mpif90 FC=mpif90/
/
/
(alternative mpifort seems to be working as well)
/
/
/The following libraries have been found:/
/ BLAS_LIBS= -lmkl_intel_lp64 -lmkl_intel_thread -lmkl_core/
/ LAPACK_LIBS=/
/ SCALAPACK_LIBS=-lmkl_scalapack_lp64 -lmkl_blacs_intelmpi_lp64/
/FFT_LIBS=-L/opt/intel/compilers_and_libraries_2018.0.128/linux/mkl/intel64/
//
/Please check if this is what you expect./
after patching thermo_pw into QE (make join_qe) make thermo_pw fails
initially with a truncation error
/
/
/phdos_module.f90:392:132: Error: Line truncated at (1)
[-Werror=line-truncation]/
/f951: some warnings being treated as errors/
which can be overcome by using -ffree-line-length-none but then make
fails again whilst looking for a module called
wavefunctions_module.mod which, apparently does not exist in QE/Modules
/add_zstar_ue.f90:20:6:/
/
/
/ USE wavefunctions_module, ONLY: evc/
/ 1/
/Fatal Error: Can't open module file ‘wavefunctions_module.mod’ for
reading at (1): No such file or directory/
/compilation terminated./
/make[2]: *** [add_zstar_ue.o] Error 1/
/make[1]: *** [thermo_qe] Error 1/
/make: *** [thermo_pw] Error 1/
Has anyone encountered (and overcome..) this problem? Any hint is
greatly appreciated!
Best,
Chris
--
Postdoctoral Researcher
Center for Quantum Nanoscience, Institute for Basic Science
Ewha Womans University, Seoul, South Korea
_______________________________________________
users mailing list
[email protected]
https://lists.quantum-espresso.org/mailman/listinfo/users
_______________________________________________
users mailing list
[email protected]
https://lists.quantum-espresso.org/mailman/listinfo/users
