[QE-users] cannot read data from "outdir", pw_berry test failing

[Michal Krompiec]

Hello,
I recently compiled QuantumEspresso using Intel 2017 compilers (with the
help of XCONFIGURE). Everything seems to be working fine, except loading
data from outdir (for example, in nscf or bands calculations). I ran the
tests, and the first one to fail was pw_berry, the error is exactly the
same as in my own tests:
[mk1a18 at cyan53 pw_berry]$ cat test.out.050918.inp=berry-1.in

     Program PWSCF v.6.3MaX starts on  5Sep2018 at 14:34: 7

     This program is part of the open-source Quantum ESPRESSO suite
     for quantum simulation of materials; please cite
         "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009);
         "P. Giannozzi et al., J. Phys.:Condens. Matter 29 465901 (2017);
          URL http://www.quantum-espresso.org",
     in publications or presentations arising from this work. More details
at
     http://www.quantum-espresso.org/quote

     Parallel version (MPI & OpenMP), running on      40 processor cores
     Number of MPI processes:                 1
     Threads/MPI process:                    40

     MPI processes distributed on     1 nodes
     Reading input from berry-1.in

     Current dimensions of program PWSCF are:
     Max number of different atomic species (ntypx) = 10
     Max number of k-points (npk) =  40000
     Max angular momentum in pseudopotentials (lmaxx) =  3

     Atomic positions and unit cell read from directory:
     ./pwscf.save/


 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine iosys (1):
     bands or non-scf calculation not possible: needed files are missing
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...

But the files are actually saved where they should be:
[mk1a18 at cyan53 pw_berry]$ ls pwscf.save/
O.pz-van_ak.UPF  Pb.pz-d-van.UPF  Ti.pz-sp-van_ak.UPF  charge-density.dat
data-file-schema.xml  wfc1.dat

I would be extremely grateful for any advice!

Best regards,
Michal Krompiec
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