[Pw_forum] Error: Segmentation fault - invalid memory reference.

[Paolo Giannozzi]

...and another one: does the original example work?

On Sat, Feb 24, 2018 at 9:52 PM, Paolo Giannozzi <p.giannozzi at gmail.com>
wrote:

> Line 227 of file export_upf.f90. There is just a piece of missing
> information: code version
>
> On Sat, Feb 24, 2018 at 2:23 PM, BENYAHIA NEZHA <BENYAHIA-NEZHA at hotmail.fr
> > wrote:
>
>> Dear Quantum espresso developers and users,
>>
>> I'am trying to use the lda-1/2 for the first time to correct the band gap
>> of Sb atom, i've followed the example of Si in the atomic code, using the
>> inupt file:
>>
>> &input
>>        title='Sb',
>>        zed=51,
>>        config='[Kr] 5s2 5p3 4d10',
>>        iswitch=4
>>        rel=2
>> /
>> &test
>>   file_pseudo='Sb.pz.paw.UPF',
>>   file_pseudopw='Sb.lda.0.5.UPF',
>>   configts(1)='5s2 5p3 4d10',
>>   configts(2)='5s2 5p3 4d9.75',
>>   rcutv=1
>> /
>>
>> after that i exexuted this script ./job.test
>> #!/bin/bash
>> workd=./results/
>> mkdir -p $workd
>> ./ld1.x <Sb.lda.0.5.in > Sb.lda.0.5.out
>> mv *.out Sb.lda.0.5.UPF $workd
>> rm -f *.wfc
>>
>>
>> however i received this error:
>>
>> Program received signal SIGSEGV: Segmentation fault - invalid memory
>> reference.
>> Backtrace for this error:
>> #0  0x7FD5A1A25777
>> #1  0x7FD5A1A25D7E
>> #2  0x7FD5A115DCAF
>> #3  0x42E9B0 in export_upf_ at export_upf.f90:227 (discriminator 3)
>> #4  0x445453 in ld1_writeout_ at ld1_writeout.f90:92
>> #5  0x403632 in ld1 at ld1.f90:69
>> #6  0x7FD5A1148F44
>> ./test.job1: line 8:  9700 Segmentation fault      (core dumped) $LD1 <
>> Sb.lda.0.5.in > Sb.lda.0.5.out
>> [6]+  Stopped                 mc
>>
>>
>> Please help me  to  resolve this error, and i'll be so grateful.
>>
>>
>>
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>> Pw_forum at pwscf.org
>> 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 <+39%200432%20558216>, fax +39-0432-558222
> <+39%200432%20558222>
>
>


-- 
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
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