My Linux box (running kubuntu) successfully, and has for years, run QE 4.3.2
and 5.0.1 without issue. However, an attempt to compile 4.0.3, with all
necessary packages installed and after a successful ./configure, running a
simple make pw gives, after dozens of lines of messages, abends with the
following:
mpif90 -O3 -x f95-cpp-input -D__GFORTRAN -D__FFTW -D__USE_INTERNAL_FFTW
-D__MPI -D__PARA -I../include -I./ -I../Modules -I../iotk/src -I../PW
-I../PH -c read_upf_v1.f90
mpif90 -O3 -x f95-cpp-input -D__GFORTRAN -D__FFTW -D__USE_INTERNAL_FFTW
-D__MPI -D__PARA -I../include -I./ -I../Modules -I../iotk/src -I../PW
-I../PH -c read_upf_v2.f90
read_upf_v2.f90:437.16-34:
ALLOCATE( upf%nn(upf%nwfc), upf%nn(upf%nwfc), &
1 2
Error: Allocate-object at (1) also appears at (2)
make[1]: *** [read_upf_v2.o] Error 1
make[1]: Leaving directory `/home/pmpgrant/Desktop/espresso-4.0.3/Modules'
make: *** [mods] Error 2
pmpgrant at w2agz-hp9280:~/Desktop/espresso-4.0.3$ ^C
pmpgrant at w2agz-hp9280:~/Desktop/espresso-4.0.3$
Once more, as far as I can tell, all the packages (gfortran, lapack, etc.)
are available. Sounds like some bizarre conflict between 4.0.3 and kubuntu
may exist!
Thanks in advance for any advice.
Paul Grant
IBM RSM/Manager Emeritus
W2AGZ Technologies
www.w2agz.com
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