[Pw_forum] Error: Segmentation fault - invalid memory reference.
BENYAHIA NEZHA
benyahia-nezha at hotmail.fr
Sun Feb 25 17:38:27 CET 2018
Yes the original example of Si works, but the si.lda.0.5.out display at the end of the file this message:
Message from routine write_upf_v2::write_inputfile:
input file not open
i'am using the qe6.2 version of quantum espresso. Thanks for your reply.
________________________________
De : BENYAHIA NEZHA
Envoyé : samedi 24 février 2018 13:23
À : pw_forum at pwscf.org
Objet : Error: Segmentation fault - invalid memory reference.
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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