Dear Paolo I tried on Mac with disable parallel and with download manually
xspectra and gipaw now for xspectra no segmentation fault appears and for gipaw
I found only a segmentation fault for H2O_environ in H2O_nmr.in
Please can you help me to fix this problem???
Thanks a lot to help me and for your patience .
Dearly Lorenzo
> Il giorno 25 mag 2016, alle ore 12:01, Lori 91 <[email protected]> ha
> scritto:
>
> Dear Professor i can try on My Mac with Intel compilers
> At line 143 of xanex_dipole.f90 i found :
> aux(1:nrc) = rgrid(xiabs)%r(1:nrc) * &
>
> And at line 68 of gen_us_dj.f90 i found:
>
> gk (1,ig) = xk (1, ik) + g(1, iig)
>
> Thanks ti help me
> Dearly Lorenzo
>
>> Il giorno 25 mag 2016, alle ore 09:28, Paolo Giannozzi
>> <[email protected]> ha scritto:
>>
>> 1. is it reproducible on other machines?
>> 2. what is there at line 68 of gen_us_dj.f90 and line 143 of
>> xanes_dipole.f90?
>>
>> Paolo
>>
>>> On Tue, May 24, 2016 at 6:48 PM, Lorenzo Donà <[email protected]>
>>> wrote:
>>> Dear all I have configured QE 5.4 on ubuntu 12.04 in this way :
>>> ./configure MPIF90=mpiifort FC=ifort F77=ifort CC=icc CXX=icpc
>>> -with-internal-blas -with-intenal-lapack
>>>
>>> and I have run PW and Phonon examples without problem but when I run
>>> XSpectra examples i found 3 segmentation fault of this type for diamond
>>> SiO2 NiO but not segmentation fault occurred for Cu_L23:
>>>
>>> Image PC Routine Line Source
>>>
>>> xspectra.x 0000000000AB9319 Unknown Unknown Unknown
>>> xspectra.x 0000000000AB7BEE Unknown Unknown Unknown
>>> xspectra.x 0000000000A60252 Unknown Unknown Unknown
>>> xspectra.x 00000000009F47D3 Unknown Unknown Unknown
>>> xspectra.x 00000000009FB9AB Unknown Unknown Unknown
>>> libpthread.so.0 00007F336DC6F340 Unknown Unknown Unknown
>>> xspectra.x 0000000000437000 xanes_dipole_ 143
>>> xanes_dipole.f90
>>> xspectra.x 0000000000405E3E MAIN__ 308
>>> xspectra.f90
>>> xspectra.x 0000000000403BA6 Unknown Unknown Unknown
>>> libc.so.6 00007F336D5B5EC5 Unknown Unknown Unknown
>>> xspectra.x 0000000000403A99 Unknown Unknown Unknown
>>> Error condition encountered during test: exit status = 174
>>> Aborting
>>>
>>> also for GIPAW modules I found segmentation fault of this type for quartz
>>> H2O_environ H2O+ benzene-USPP but not for benzene-NCPP:
>>>
>>> Computing the magnetic susceptibility isolve=0 ethr= 0.1000E-13
>>> k-point # 1 of 1 pool # 1 cpu time: 7.3
>>> forrtl: severe (174): SIGSEGV, segmentation fault occurred
>>> Image PC Routine Line Source
>>>
>>> gipaw.x 0000000000B2ADF9 Unknown Unknown Unknown
>>> gipaw.x 0000000000B296CE Unknown Unknown Unknown
>>> gipaw.x 0000000000AD1D92 Unknown Unknown Unknown
>>> gipaw.x 0000000000A66313 Unknown Unknown Unknown
>>> gipaw.x 0000000000A6D4EB Unknown Unknown Unknown
>>> libpthread.so.0 00007F0187E4D340 Unknown Unknown Unknown
>>> gipaw.x 00000000004D357E gen_us_dj_ 68
>>> gen_us_dj.f90
>>> gipaw.x 000000000044C861 paramagnetic_corr 323
>>> nmr_routines.f90
>>> gipaw.x 000000000042E8A6 suscept_crystal_I 470
>>> suscept_crystal.f90
>>> gipaw.x 000000000042A757 suscept_crystal_ 218
>>> suscept_crystal.f90
>>> gipaw.x 0000000000403FF3 MAIN__ 146
>>> gipaw_main.f90
>>> gipaw.x 0000000000403BA6 Unknown Unknown Unknown
>>> libc.so.6 00007F0187793EC5 Unknown Unknown Unknown
>>> gipaw.x 0000000000403A99 Unknown Unknown Unknown
>>>
>>> I need to do EPR and NMR.
>>> Please can you help me to solve these problems.
>>>
>>> Thanks a lot to help me.
>>>
>>> lorenzo donà
>>>
>>> _______________________________________________
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>>> http://pwscf.org/mailman/listinfo/pw_forum
>>
>>
>>
>> --
>> Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
>> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
>> Phone +39-0432-558216, fax +39-0432-558222
>>
>> _______________________________________________
>> Pw_forum mailing list
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>> http://pwscf.org/mailman/listinfo/pw_forum
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