[Octopus-users] Segmentation fault

[David Strubbe]

Hongliang,

Which release of Octopus are you using? Also, you list a module for OpenMPI,
so are you sure you dealing with the serial version and not mixing in
parallel somewhere?

David

On Fri, May 7, 2010 at 1:49 AM, matthieu verstraete <
Matthieu.Verstraete at ulg.ac.be> wrote:

> Take the simplest test input that crashes and set DebugLevel = 100 in the
> inp file. Then provide us with the end of the output - that will tell you at
> least where it is crashing. You should also try to decrease optimization in
> your compilation, to see if that is the problem. PGI is notoriously buggy,
> so it could be the compiler's fault.
>
> cheers
>
> Matthieu
>
> On Fri, May 7, 2010 at 5:34 AM, Hongliang Xin <hxin at umich.edu> wrote:
>
>> 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
>>
>> _______________________________________________
>> Octopus-users mailing list
>> Octopus-users at tddft.org
>> http://www.tddft.org/mailman/listinfo/octopus-users
>>
>>
>
>
> --
> ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
> Prof. Matthieu Verstraete
>
> Universite de Liège
> Institut de Physique, Bat. B5, 3/7
> Allée du 6 aout, 17
> B- 4000 Sart Tilman, Liège
> Belgium
>
> Associate member European Theoretical Spectroscopy Facility (ETSF
> http://www.etsf.eu)
>
> Phone : +32 4 366 90 17
> Fax   : +32 4 366 36 29
>
> Mail : matthieu.verstraete at ulg.ac.be
>          matthieu.jean.verstraete at gmail.com
>
>
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>
>
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