[Pw_forum] espresso-4.0.3 Compilation Issues

W2AGZ w2agz at w2agz.com
Thu Jul 24 22:18:25 CEST 2014

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


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



      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


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