[QE-users] SIGSEGV with 7.1 but not 7.0

[Johnson, Miles R.]

Hello all,

I'm trying to perform a simple graphene computation with the following input I got from here: https://lists.quantum-espresso.org/pipermail/users/2010-May/016890.html. It works fine with qe-7.0, but consistently gives a SIGSEGV error with qe-7.1. Has some syntax changed in the new version or is this just a bug?

&CONTROL
   calculation = 'scf'
   restart_mode='from_scratch'
   prefix='graphene'
   pseudo_dir='/home/milesj/qe-7.0_cp/pseudo/'
   outdir='/home/milesj/nonmag/tmp/'
/
&SYSTEM
   ibrav=4
   celldm(1)=4.6595
   celldm(3)=4.0571
   nat=2
   ntyp=1
   ecutwfc=40.0
   ecutrho=200.0
   occupations='smearing'
   smearing='gaussian'
   nbnd = 8
   degauss=0.02
/
&ELECTRONS
   conv_thr =  1.0e-8
/
ATOMIC_SPECIES
   C    12.011    C_FR_stringent_sol.upf


ATOMIC_POSITIONS (angstrom)
   C        0.000000000   0.000000000   0.000000000
   C        1.232850116   0.706423116   0.000000000


K_POINTS {automatic}
   16 16 1 0 0 0

[cid:04fd52fe-fc90-4a6c-92b9-b1f46122be23]

Thanks,
Miles
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