[Pw_forum] Set up difficulties
jonfrey2013 at aol.com
jonfrey2013 at aol.com
Sat Dec 26 13:04:57 CET 2015
From: Jon Frey, USA, Independent researcher
Attempting to verify QuantumEspresso5.2.1 installation on Fedora 23 Scientific package
No error on extracting tar files
Compiled with no errors using "make all"
Compiler auto selected serial not parallel install
Run of any pw check program failed , missing pw.x
So looking deeper at docs , found instructions to make pw.x independently
(Note there is an earlier December post from Olivier Matz about missing pw.x in build )
pw.x compiled with many warnings about missing includes ( see below)
Looks like it is trying to build a parallel version of pw.x, and lacks ELPA dependencies?
It did complete and save a pw.x executable and I was able to run a test file which passed
Several questions
1) Am I safe to run ( for learning and testing purposes ) or need to adjust the build?
2) What do I need to do to recompile pw.x for parallel architecture later ( other than to have ELPA predecessor installed )
3) Are there other dependencies not constructed by "make all "in other functional modules ?
Fedora 23 Scientific has installed
gcc
gcc c++ Version 5.3.1.2
gcc gfortran Version 5.3.1.2
Running on Intel x86 system 64 bit
_____________________________________-
Trouble shooting sequence
Tried to run
./check-pw.x.j atom-occ1.in
Error
[JonFrey at new-host-3 tests]$ ./check-pw.x.j atom-occ1.in
Downloading Ni.pbe-nd-rrkjus.UPF to /home/JonFrey/Downloads/QuantumExpresso/espresso-5.2.1/pseudo/...success
Checking atom-occ1..../check-pw.x.j: line 259: /home/JonFrey/Downloads/QuantumExpresso/espresso-5.2.1/PW/src/pw.x: No such file or directory
FAILED with error condition!
Input: atom-occ1.in, Output: atom-occ1.out, Reference: atom-occ1.ref
I dont find any file pw.x in source folder
Reviewed Code in check routine check-pw.x.j apparently causing failure
# run the code in the scratch directory
#
cd $ESPRESSO_TMPDIR
$PARA_PREFIX $ESPRESSO_ROOT/PW/src/pw.x $plugin_name $PARA_POSTFIX \
-i $TESTDIR/$name.in > $TESTDIR/$name.out
if test $? != 0; then
$ECHO "FAILED with error condition!"
$ECHO "Input: $name.in, Output: $name.out, Reference: $name.ref"
$ECHO "Aborting"
exit 1
fi
Searched literature and found deeper level instruction in PWscf docs to build pw.x
During
pw.x build warnings
gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c parallel_include.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c mp.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c mp_world.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c mp_images.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c parser.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c autopilot.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c basic_algebra_routines.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c control_flags.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c mp_bands.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c noncol.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c recvec.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c becmod.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c cell_base.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c io_files.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c bfgs_module.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c bspline.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c bz_form.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c set_signal.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c check_stop.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c clocks.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c command_line_options.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c fft_types.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c fft_base.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c compute_dipole.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c random_numbers.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c ions_base.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c constraints_module.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c coulomb_vcut.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c descriptors.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c mp_pools.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c mp_diag.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c dspev_drv.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c electrons_base.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c environment.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c error_handler.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c fcp_variables.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c fd_gradient.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c fft_scalar.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c fft_custom.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c fft_parallel.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c fft_interfaces.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c wrappers.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c kernel_table.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c mp_global.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c xc_rVV10.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c xc_vdW_DF.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c funct.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c generate_function.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c griddim.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c pseudo_types.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c gth.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c libxc_funcs.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c libxc.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c mm_dispersion.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c mp_base.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c mp_wave.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c open_close_input_file.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c paw_variables.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c plugin_flags.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c plugin_arguments.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c plugin_variables.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c zhpev_drv.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c ptoolkit.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c qexml.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c qmmm.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c wypos.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c read_cards.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c read_namelists.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c read_xml_fields.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c read_xml_cards.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c read_xml.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c xml_io_base.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c xml_input.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c read_input.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c read_ncpp.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c uspp.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c read_uspp.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c read_upf_v1.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c read_upf_v2.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c upf.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c upf_to_internal.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c read_pseudo.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c recvec_subs.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c run_info.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c space_group.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c splinelib.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c stick_base.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c stick_set.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c timestep.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c tsvdw.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c wannier_gw.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c wave_base.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c wavefunctions.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c write_upf_v2.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c ws_base.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../ELPA/src -I. -c zdotc_wrapper.f90 f951: Warning: Nonexistent include directory ‘../ELPA/src’ [-Wmissing-include-dirs] ar ruv libqemod.a atom.o autopilot.o basic_algebra_routines.o becmod.o bfgs_module.o bspline.o bz_form.o cell_base.o check_stop.o clocks.o command_line_options.o compute_dipole.o constants.o constraints_module.o control_flags.o coulomb_vcut.o descriptors.o dspev_drv.o electrons_base.o environment.o error_handler.o fcp_variables.o fd_gradient.o fft_base.o fft_custom.o fft_interfaces.o fft_parallel.o fft_scalar.o fft_types.o funct.o generate_function.o griddim.o gth.o input_parameters.o io_files.o io_global.o ions_base.o kernel_table.o kind.o libxc.o libxc_funcs.o mm_dispersion.o mp.o mp_bands.o mp_base.o mp_diag.o mp_global.o mp_images.o mp_pools.o mp_wave.o mp_world.o noncol.o open_close_input_file.o parallel_include.o parameters.o parser.o paw_variables.o plugin_flags.o plugin_arguments.o plugin_variables.o pseudo_types.o ptoolkit.o qexml.o qmmm.o radial_grids.o random_numbers.o read_cards.o read_input.o read_namelists.o read_ncpp.o read_pseudo.o read_upf_v1.o read_upf_v2.o read_uspp.o read_xml.o read_xml_cards.o read_xml_fields.o recvec.o recvec_subs.o run_info.o space_group.o set_signal.o splinelib.o stick_base.o stick_set.o timestep.o tsvdw.o upf.o upf_to_internal.o uspp.o version.o wannier_gw.o wannier_new.o wave_base.o wavefunctions.o wrappers.o write_upf_v2.o ws_base.o xc_vdW_DF.o xc_rVV10.o xml_input.o xml_io_base.o wypos.o zdotc_wrapper.o zhpev_drv.o ar: `u' modifier ignored since `D' is the default (see `U') ar: creating libqemod.a a - atom.o a - autopilot.o a - basic_algebra_routines.o a - becmod.o a - bfgs_module.o a - bspline.o a - bz_form.o a - cell_base.o a - check_stop.o a - clocks.o a - command_line_options.o a - compute_dipole.o a - constants.o a - constraints_module.o a - control_flags.o a - coulomb_vcut.o a - descriptors.o a - dspev_drv.o a - electrons_base.o a - environment.o a - error_handler.o a - fcp_variables.o a - fd_gradient.o a - fft_base.o a - fft_custom.o a - fft_interfaces.o a - fft_parallel.o a - fft_scalar.o a - fft_types.o a - funct.o a - generate_function.o a - griddim.o a - gth.o a - input_parameters.o a - io_files.o a - io_global.o a - ions_base.o a - kernel_table.o a - kind.o a - libxc.o a - libxc_funcs.o a - mm_dispersion.o a - mp.o a - mp_bands.o a - mp_base.o a - mp_diag.o a - mp_global.o a - mp_images.o a - mp_pools.o a - mp_wave.o a - mp_world.o a - noncol.o a - open_close_input_file.o a - parallel_include.o a - parameters.o a - parser.o a - paw_variables.o a - plugin_flags.o a - plugin_arguments.o a - plugin_variables.o a - pseudo_types.o a - ptoolkit.o a - qexml.o a - qmmm.o a - radial_grids.o a - random_numbers.o a - read_cards.o a - read_input.o a - read_namelists.o a - read_ncpp.o a - read_pseudo.o a - read_upf_v1.o a - read_upf_v2.o a - read_uspp.o a - read_xml.o a - read_xml_cards.o a - read_xml_fields.o a - recvec.o a - recvec_subs.o a - run_info.o a - space_group.o a - set_signal.o a - splinelib.o a - stick_base.o a - stick_set.o a - timestep.o a - tsvdw.o a - upf.o a - upf_to_internal.o a - uspp.o a - version.o a - wannier_gw.o a - wannier_new.o a - wave_base.o a - wavefunctions.o a - wrappers.o a - write_upf_v2.o a - ws_base.o a - xc_vdW_DF.o a - xc_rVV10.o a - xml_input.o a - xml_io_base.o a - wypos.o a - zdotc_wrapper.o a - zhpev_drv.o ranlib libqemod.a make[1]: Leaving directory '/home/JonFrey/Downloads/QuantumExpresso/espresso-5.2.1/Modules' cd install ; make -f extlibs_makefile liblapack make[1]: Entering directory '/home/JonFrey/Downloads/QuantumExpresso/espresso-5.2.1/install' touch fake_liblapack.a rm fake_liblapack.a make[1]: Leaving directory '/home/JonFrey/Downloads/QuantumExpresso/espresso-5.2.1/install' cd install ; make -f extlibs_makefile libblas make[1]: Entering directory '/home/JonFrey/Downloads/QuantumExpresso/espresso-5.2.1/install' touch fake_libblas.a rm fake_libblas.a make[1]: Leaving directory '/home/JonFrey/Downloads/QuantumExpresso/espresso-5.2.1/install' ( cd clib ; make TLDEPS= all || exit 1 ) make[1]: Entering directory '/home/JonFrey/Downloads/QuantumExpresso/espresso-5.2.1/clib' cc -O3 -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -c customize_signals.c cc -O3 -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -c stack.c cc -O3 -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -c c_mkdir.c cc -O3 -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -c copy.c cc -O3 -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -c cptimer.c cc -O3 -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -c eval_infix.c cc -O3 -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -c fft_stick.c cc -O3 -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -c indici.c cc -O3 -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -c md5.c cc -O3 -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -c md5_from_file.c cc -O3 -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -c memstat.c cc -O3 -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -c ptrace.c cc -O3 -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -c qsort.c ar ruv clib.a customize_signals.o stack.o c_mkdir.o copy.o cptimer.o eval_infix.o fft_stick.o indici.o md5.o md5_from_file.o memstat.o ptrace.o qsort.o ar: `u' modifier ignored since `D' is the default (see `U') ar: creating clib.a a - customize_signals.o a - stack.o a - c_mkdir.o a - copy.o a - cptimer.o a - eval_infix.o a - fft_stick.o a - indici.o a - md5.o a - md5_from_file.o a - memstat.o a - ptrace.o a - qsort.o ranlib clib.a make[1]: Leaving directory '/home/JonFrey/Downloads/QuantumExpresso/espresso-5.2.1/clib' ( cd flib ; make TLDEPS= all || exit 1 ) make[1]: Entering directory '/home/JonFrey/Downloads/QuantumExpresso/espresso-5.2.1/flib' gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../Modules -I. -c avrec.f90 gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../Modules -I. -c atomic_number.f90 gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../Modules -I. -c bachel.f90 gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../Modules -I. -c capital.f90 gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../Modules -I. -c cryst_to_car.f90 gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../Modules -I. -c dost.f90 gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../Modules -I. -c erf.f90 gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../Modules -I. -c expint.f90 gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../Modules -I. -c find_free_unit.f90 gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../Modules -I. -c flush_unit.f90 gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../Modules -I. -c functionals.f90 gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../Modules -I. -c generate_k_along_lines.f90 gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../Modules -I. -c lsda_functionals.f90 gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../Modules -I. -c more_functionals.f90 gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../Modules -I. -c has_xml.f90 gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../Modules -I. -c iglocal.f90 gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../Modules -I. -c inpfile.f90 inpfile.f90:114:67: Warning: Extraneous characters in format at (1) gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../Modules -I. -c int_to_char.f90 gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../Modules -I. -c invmat.f90 gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../Modules -I. -c invmat_complex.f90 gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../Modules -I. -c latgen.f90 gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../Modules -I. -c linpack.f90 gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../Modules -I. -c metagga.f90 gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../Modules -I. -c matches.f90 gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../Modules -I. -c plot_io.f90 gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../Modules -I. -c radial_gradients.f90 gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../Modules -I. -c rgen.f90 gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../Modules -I. -c recips.f90 gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../Modules -I. -c remove_tot_torque.f90 gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../Modules -I. -c set_hubbard_l.f90 gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../Modules -I. -c simpsn.f90 gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../Modules -I. -c sort.f90 gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../Modules -I. -c sph_bes.f90 gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../Modules -I. -c sph_dbes.f90 gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../Modules -I. -c transto.f90 gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../Modules -I. -c trimcheck.f90 gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../Modules -I. -c test_input_file.f90 gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../Modules -I. -c date_and_tim.f90 gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../Modules -I. -c volume.f90 gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../Modules -I. -c dylmr2.f90 gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../Modules -I. -c ylmr2.f90 gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../Modules -I. -c wgauss.f90 gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../Modules -I. -c w0gauss.f90 gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../Modules -I. -c w1gauss.f90 gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../iotk/src -I../Modules -I. -c deviatoric.f90 ar ruv flib.a avrec.o atomic_number.o bachel.o capital.o cryst_to_car.o dost.o erf.o expint.o find_free_unit.o flush_unit.o functionals.o generate_k_along_lines.o lsda_functionals.o more_functionals.o has_xml.o iglocal.o inpfile.o int_to_char.o invmat.o invmat_complex.o latgen.o linpack.o metagga.o matches.o plot_io.o radial_gradients.o rgen.o recips.o remove_tot_torque.o set_hubbard_l.o simpsn.o sort.o sph_bes.o sph_dbes.o transto.o trimcheck.o test_input_file.o date_and_tim.o volume.o dylmr2.o ylmr2.o wgauss.o w0gauss.o w1gauss.o deviatoric.o ar: `u' modifier ignored since `D' is the default (see `U') ar: creating flib.a a - avrec.o a - atomic_number.o a - bachel.o a - capital.o a - cryst_to_car.o a - dost.o a - erf.o a - expint.o a - find_free_unit.o a - flush_unit.o a - functionals.o a - generate_k_along_lines.o a - lsda_functionals.o a - 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weights.f90 gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../../iotk/src -I../../Modules -c ortho_wfc.f90 gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../../iotk/src -I../../Modules -c wannier_proj.f90 gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../../iotk/src -I../../Modules -c wannier_init.f90 gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../../iotk/src -I../../Modules -c wannier_check.f90 gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../../iotk/src -I../../Modules -c wannier_clean.f90 gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../../iotk/src -I../../Modules -c wannier_occ.f90 gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../../iotk/src -I../../Modules -c wannier_enrg.f90 ar ruv libpw.a a2fmod.o add_bfield.o add_efield.o add_vuspsi.o add_paw_to_deeq.o add_vhub_to_deeq.o addusdens.o addusforce.o addusstress.o allocate_fft.o allocate_locpot.o allocate_nlpot.o allocate_wfc.o atomic_rho.o atomic_wfc.o atomic_wfc_mod.o average_pp.o acfdt_in_pw.o newd.o bp_mod.o bp_c_phase.o bp_calc_btq.o bp_qvan3.o bp_strings.o buffers.o c_bands.o c_phase_field.o orbm_kubo.o ccgdiagg.o cdiagh.o cdiaghg.o cegterg.o clean_pw.o close_files.o compute_becsum.o compute_deff.o compute_dip.o compute_rho.o compute_qdipol.o compute_qdipol_so.o compute_ux.o coset.o d_matrix.o data_structure.o data_structure_custom.o deriv_drhoc.o divide_class.o divide_class_so.o realus.o divide.o divide_et_impera.o dqvan2.o drhoc.o dvloc_of_g.o dynamics_module.o efermig.o efermit.o electrons.o eqvect.o esm.o esm_cft.o ewald.o ewald_dipole.o exx.o fcp.o find_group.o forces_bp_efield.o force_cc.o force_corr.o force_ew.o force_hub.o force_lc.o force_us.o forces.o g_psi.o g_psi_mod.o gen_at_dj.o gen_at_dy.o gen_us_dj.o gen_us_dy.o get_locals.o gk_sort.o gradcorr.o gweights.o g2_kin.o h_epsi_her_apply.o h_epsi_her_set.o h_1psi.o h_psi.o h_psi_meta.o hinit0.o hinit1.o init_ns.o init_q_aeps.o init_run.o init_us_1.o init_us_2.o init_at_1.o init_vloc.o input.o interpolate.o io_rho_xml.o irrek.o iweights.o start_k.o kpoint_grid.o lchk_tauxk.o ldaU.o make_pointlists.o makov_payne.o martyna_tuckerman.o memory_report.o mix_rho.o move_ions.o multable.o n_plane_waves.o new_ns.o new_occ.o ns_adj.o non_scf.o offset_atom_wfc.o openfil.o orthoatwfc.o output_tau.o para.o paw_exx.o paw_init.o paw_onecenter.o paw_symmetry.o plugin_print_energies.o plugin_scf_energy.o plugin_scf_potential.o plugin_init_ions.o plugin_init_cell.o plugin_init_potential.o plugin_initbase.o plugin_clean.o plugin_clock.o plugin_summary.o plugin_initialization.o plugin_ext_forces.o plugin_int_forces.o plugin_read_input.o plus_u_full.o potinit.o print_clock_pw.o print_ks_energies.o punch.o pw_restart.o pwcom.o pw2blip.o pw2casino.o pw2casino_write.o qvan2.o rcgdiagg.o rdiagh.o rdiaghg.o read_conf_from_file.o read_file.o regterg.o remove_atomic_rho.o report_mag.o restart_in_electrons.o rho2zeta.o rotate_wfc.o rotate_wfc_k.o rotate_wfc_gamma.o ruotaijk.o run_pwscf.o s_1psi.o s_psi.o save_in_cbands.o save_in_electrons.o scale_h.o scf_mod.o set_kplusq.o set_kup_and_kdw.o set_rhoc.o set_vrs.o setlocal.o setqf.o setup.o spinor.o sph_ind.o stop_run.o stres_cc.o stres_ewa.o stres_gradcorr.o stres_har.o stres_hub.o stres_knl.o stres_loc.o stres_us.o stres_nonloc_dft.o stress.o struct_fact.o sum_band.o sumkg.o sumkt.o summary.o symme.o symm_base.o symmetrize_at.o tabd.o transform_becsum_so.o transform_becsum_nc.o transform_qq_so.o trnvecc.o tweights.o update_pot.o us_exx.o usnldiag.o v_of_rho.o vcsmd.o vcsubs.o vhpsi.o vloc_of_g.o vloc_psi.o xdm_dispersion.o xk_wk_collect.o wfcinit.o write_ns.o wsweight.o weights.o ortho_wfc.o wannier_proj.o wannier_init.o wannier_check.o wannier_clean.o wannier_occ.o wannier_enrg.o wyckoff.o ar: `u' modifier ignored since `D' is the default (see `U') ar: creating libpw.a a - a2fmod.o a - add_bfield.o a - add_efield.o a - add_vuspsi.o a - add_paw_to_deeq.o a - add_vhub_to_deeq.o a - addusdens.o a - addusforce.o a - addusstress.o a - allocate_fft.o a - allocate_locpot.o a - allocate_nlpot.o a - allocate_wfc.o a - atomic_rho.o a - atomic_wfc.o a - atomic_wfc_mod.o a - average_pp.o a - acfdt_in_pw.o a - newd.o a - bp_mod.o a - bp_c_phase.o a - bp_calc_btq.o a - bp_qvan3.o a - bp_strings.o a - buffers.o a - c_bands.o a - c_phase_field.o a - orbm_kubo.o a - ccgdiagg.o a - cdiagh.o a - cdiaghg.o a - cegterg.o a - clean_pw.o a - close_files.o a - compute_becsum.o a - compute_deff.o a - compute_dip.o a - compute_rho.o a - compute_qdipol.o a - compute_qdipol_so.o a - compute_ux.o a - coset.o a - d_matrix.o a - data_structure.o a - data_structure_custom.o a - deriv_drhoc.o a - divide_class.o a - divide_class_so.o a - realus.o a - divide.o a - divide_et_impera.o a - dqvan2.o a - drhoc.o a - dvloc_of_g.o a - dynamics_module.o a - efermig.o a - efermit.o a - electrons.o a - eqvect.o a - esm.o a - esm_cft.o a - ewald.o a - ewald_dipole.o a - exx.o a - fcp.o a - find_group.o a - forces_bp_efield.o a - force_cc.o a - force_corr.o a - force_ew.o a - force_hub.o a - force_lc.o a - force_us.o a - forces.o a - g_psi.o a - g_psi_mod.o a - gen_at_dj.o a - gen_at_dy.o a - gen_us_dj.o a - gen_us_dy.o a - get_locals.o a - gk_sort.o a - gradcorr.o a - gweights.o a - g2_kin.o a - h_epsi_her_apply.o a - h_epsi_her_set.o a - h_1psi.o a - h_psi.o a - h_psi_meta.o a - hinit0.o a - hinit1.o a - init_ns.o a - init_q_aeps.o a - init_run.o a - init_us_1.o a - init_us_2.o a - init_at_1.o a - init_vloc.o a - input.o a - interpolate.o a - io_rho_xml.o a - irrek.o a - iweights.o a - start_k.o a - kpoint_grid.o a - lchk_tauxk.o a - ldaU.o a - make_pointlists.o a - makov_payne.o a - martyna_tuckerman.o a - memory_report.o a - mix_rho.o a - move_ions.o a - multable.o a - n_plane_waves.o a - new_ns.o a - new_occ.o a - ns_adj.o a - non_scf.o a - offset_atom_wfc.o a - openfil.o a - orthoatwfc.o a - output_tau.o a - para.o a - paw_exx.o a - paw_init.o a - paw_onecenter.o a - paw_symmetry.o a - plugin_print_energies.o a - plugin_scf_energy.o a - plugin_scf_potential.o a - plugin_init_ions.o a - plugin_init_cell.o a - plugin_init_potential.o a - plugin_initbase.o a - plugin_clean.o a - plugin_clock.o a - plugin_summary.o a - plugin_initialization.o a - plugin_ext_forces.o a - plugin_int_forces.o a - plugin_read_input.o a - plus_u_full.o a - potinit.o a - print_clock_pw.o a - print_ks_energies.o a - punch.o a - pw_restart.o a - pwcom.o a - pw2blip.o a - pw2casino.o a - pw2casino_write.o a - qvan2.o a - rcgdiagg.o a - rdiagh.o a - rdiaghg.o a - read_conf_from_file.o a - read_file.o a - regterg.o a - remove_atomic_rho.o a - report_mag.o a - restart_in_electrons.o a - rho2zeta.o a - rotate_wfc.o a - rotate_wfc_k.o a - rotate_wfc_gamma.o a - ruotaijk.o a - run_pwscf.o a - s_1psi.o a - s_psi.o a - save_in_cbands.o a - save_in_electrons.o a - scale_h.o a - scf_mod.o a - set_kplusq.o a - set_kup_and_kdw.o a - set_rhoc.o a - set_vrs.o a - setlocal.o a - setqf.o a - setup.o a - spinor.o a - sph_ind.o a - stop_run.o a - stres_cc.o a - stres_ewa.o a - stres_gradcorr.o a - stres_har.o a - stres_hub.o a - stres_knl.o a - stres_loc.o a - stres_us.o a - stres_nonloc_dft.o a - stress.o a - struct_fact.o a - sum_band.o a - sumkg.o a - sumkt.o a - summary.o a - symme.o a - symm_base.o a - symmetrize_at.o a - tabd.o a - transform_becsum_so.o a - transform_becsum_nc.o a - transform_qq_so.o a - trnvecc.o a - tweights.o a - update_pot.o a - us_exx.o a - usnldiag.o a - v_of_rho.o a - vcsmd.o a - vcsubs.o a - vhpsi.o a - vloc_of_g.o a - vloc_psi.o a - xdm_dispersion.o a - xk_wk_collect.o a - wfcinit.o a - write_ns.o a - wsweight.o a - weights.o a - ortho_wfc.o a - wannier_proj.o a - wannier_init.o a - wannier_check.o a - wannier_clean.o a - wannier_occ.o a - wannier_enrg.o a - wyckoff.o ranlib libpw.a gfortran -g -pthread -o pw.x \ pwscf.o libpw.a ../../Modules/libqemod.a ../../flib/ptools.a ../../flib/flib.a ../../clib/clib.a ../../iotk/src/libiotk.a -llapack -lblas -lblas ( cd ../../bin; ln -fs ../PW/src/pw.x . ) gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../../iotk/src -I../../Modules -c manypw.f90 gfortran -g -pthread -o manypw.x \ manypw.o libpw.a ../../Modules/libqemod.a ../../flib/ptools.a ../../flib/flib.a ../../clib/clib.a ../../iotk/src/libiotk.a -llapack -lblas -lblas ( cd ../../bin; ln -fs ../PW/src/manypw.x . ) gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../../iotk/src -I../../Modules -c generate_vdW_kernel_table.f90 gfortran -g -pthread -o generate_vdW_kernel_table.x \ generate_vdW_kernel_table.o ../../Modules/libqemod.a libpw.a ../../flib/ptools.a ../../flib/flib.a ../../clib/clib.a ../../iotk/src/libiotk.a -llapack -lblas -lblas ( cd ../../bin; ln -fs ../PW/src/generate_vdW_kernel_table.x . ) gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../../iotk/src -I../../Modules -c generate_rVV10_kernel_table.f90 gfortran -g -pthread -o generate_rVV10_kernel_table.x \ generate_rVV10_kernel_table.o ../../Modules/libqemod.a libpw.a ../../flib/ptools.a ../../flib/flib.a ../../clib/clib.a ../../iotk/src/libiotk.a -llapack -lblas -lblas ( cd ../../bin; ln -fs ../PW/src/generate_rVV10_kernel_table.x . ) make[2]: Leaving directory '/home/JonFrey/Downloads/QuantumExpresso/espresso-5.2.1/PW/src' ( cd tools ; make all || exit 1 ) make[2]: Entering directory '/home/JonFrey/Downloads/QuantumExpresso/espresso-5.2.1/PW/tools' if test -n "" ; then \ ( cd ../.. ; make || exit 1 ) ; fi gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../../iotk/src -I../../Modules -I../src -I. -c band_plot.f90 f951: Warning: Nonexistent include directory ‘../include’ [-Wmissing-include-dirs] gfortran -g -pthread -o band_plot.x band_plot.o ( cd ../../bin ; ln -fs ../PW/tools/band_plot.x . ) gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../../iotk/src -I../../Modules -I../src -I. -c dist.f90 f951: Warning: Nonexistent include directory ‘../include’ [-Wmissing-include-dirs] gfortran -g -pthread -o dist.x \ dist.o ../src/libpw.a ../../Modules/libqemod.a ../../flib/ptools.a ../../flib/flib.a ../../clib/clib.a ../../iotk/src/libiotk.a -llapack -lblas -lblas ( cd ../../bin ; ln -fs ../PW/tools/dist.x . ) gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../../iotk/src -I../../Modules -I../src -I. -c ev_xml.f90 f951: Warning: Nonexistent include directory ‘../include’ [-Wmissing-include-dirs] gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../../iotk/src -I../../Modules -I../src -I. -c ev.f90 f951: Warning: Nonexistent include directory ‘../include’ [-Wmissing-include-dirs] ev.f90:81:66: PRINT '(5x,"Lattice parameter or Volume are in (au, Ang) > "), advance="NO"' 1 Warning: Extraneous characters in format at (1) ev.f90:86:0: PRINT '(5x,"Enter type of bravais lattice (fcc, bcc, sc, noncubic) > "), advance="NO"' 1 Warning: Extraneous characters in format at (1) ev.f90:104:0: PRINT '(5x,"Enter type of equation of state :"/& 1 Warning: Extraneous characters in format at (1) ev.f90:115:0: PRINT '(5x,"Input file > "), advance="NO"' 1 Warning: Extraneous characters in format at (1) ev.f90:275:0: PRINT '(5x,"Output file > "), advance="NO"' 1 Warning: Extraneous characters in format at (1) gfortran -g -pthread -o ev.x \ ev.o ev_xml.o ../src/libpw.a ../../Modules/libqemod.a ../../flib/ptools.a ../../flib/flib.a ../../clib/clib.a ../../iotk/src/libiotk.a -llapack -lblas -lblas ( cd ../../bin ; ln -fs ../PW/tools/ev.x . ) gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../../iotk/src -I../../Modules -I../src -I. -c kpoints.f90 f951: Warning: Nonexistent include directory ‘../include’ [-Wmissing-include-dirs] gfortran -g -pthread -o kpoints.x \ kpoints.o ../src/libpw.a ../../Modules/libqemod.a ../../flib/ptools.a ../../flib/flib.a ../../clib/clib.a ../../iotk/src/libiotk.a -llapack -lblas -lblas ( cd ../../bin ; ln -fs ../PW/tools/kpoints.x . ) gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../../iotk/src -I../../Modules -I../src -I. -c pwi2xsf.f90 f951: Warning: Nonexistent include directory ‘../include’ [-Wmissing-include-dirs] gfortran -g -pthread -o pwi2xsf.x \ pwi2xsf.o ../src/libpw.a ../../Modules/libqemod.a ../../flib/ptools.a ../../flib/flib.a ../../clib/clib.a ../../iotk/src/libiotk.a -llapack -lblas -lblas ( cd ../../bin ; ln -fs ../PW/tools/pwi2xsf.x . ) gfortran -O3 -g -x f95-cpp-input -D__GFORTRAN -D__STD_F95 -D__FFTW -I../include -I../../iotk/src -I../../Modules -I../src -I. -c bands_FS.f90 f951: Warning: Nonexistent include directory ‘../include’ [-Wmissing-include-dirs] gfortran -g -pthread -o bands_FS.x bands_FS.o -llapack -lblas -lblas ( cd ../../bin ; ln -fs ../PW/tools/bands_FS.x . ) gfortran -O3 -g -c kvecs_FS.f gfortran -g -pthread -o kvecs_FS.x kvecs_FS.o errors/ -llapack -lblas -lblas ( cd ../../bin ; ln -fs ../PW/tools/kvecs_FS.x . ) make[2]: Leaving directory '/home/JonFrey/Downloads/QuantumExpresso/espresso-5.2.1/PW/tools' make[1]: Leaving directory '/home/JonFrey/Downloads/QuantumExpresso/espresso-5.2.1/PW' [JonFrey at new-host-3 espresso-5.2.1]$ [
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