[Octopus-users] Segmentation fault

[Hongliang Xin]

Dear All,

I have just compiled serial version of octopus on x86_64 with pgi compiler.
Everything goes fine. It has successfully built with fftw, netcdf, etsf_io,
gsl, and blas libraries. However, it gives lots of failed test as I do the
make check. I attached the final log of test as below. As I run the some
example job with octopus, it gives the Segmentation fault after the scf
cycle finished successfully. Can anyone give me some suggestions for this
situation? Some system information is shown below:

System Information:
uname -m = x86_64
openmpi/1.3.2-pgi
pgi/8.0
acml/4.1.1-pgi
netcdf/4.0-pgi
fftw/3.2.1-pgi

thanks,

Hongliang

  ------------------------------
--------------------------------------
    finite_systems_1d/09-morse.test                   3
    finite_systems_2d/02-fock-darwin.test             10
    finite_systems_3d/05-output.test                  26
    finite_systems_3d/06-restart.test                 10
    finite_systems_3d/07-spin_orbit_coupling.test     34
    finite_systems_3d/09-spinors.test                 8
    finite_systems_3d/12-forces.test                  6
    finite_systems_3d/13-full_potential_hydrogen.test 2
    finite_systems_3d/20-eigensolver.test             24
    finite_systems_3d/23-go-na2.test                  5
    finite_systems_3d/24-o2-spin.test                 16
    linear_response/02-h2o_pol_lr.test                34
    open_systems/01-wavepacket.test                   8
    open_systems/02-wavepacket_2d.test                4
    open_systems/03-extended_eigenstate.test          2
    optimal_control/01-asym_doublewell.test           2
    periodic_systems/01-free_electrons.test           12
    periodic_systems/02-cosine_potential.test         12
    periodic_systems/03-sodium_chain.test             24
    periodic_systems/04-silicon.test                  28
    periodic_systems/05-lithium.test                  28
    periodic_systems/06-h2o_pol_lr.test               17
    real_time/01-etrs.test                            21
    real_time/02-aetrs.test                           31
    real_time/03-exp_mid.test                         11
    real_time/05-cpmd.test                            21
    real_time/07-visscher.test                        11
    real_time/08-laser.test                           4
Total run-time of the testsuite: 00:05:23



-- 
Hongliang Xin
Ph.D. Candidate
Dept. of Chemical Engineering
University of Michigan
3166 HH Dow
2300 Hayward
Ann Arbor, MI 48109
Phone: (734) 647-8051
E-mail: hxin at umich.edu
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