<div dir="ltr"><div>It works for me, but there was an uninitialized variable when old file formats are read. Should be fixed now. Thank you for reporting this.<br></div><div><br></div><div>Paolo<br></div></div><br><div class="gmail_quote"><div dir="ltr" class="gmail_attr">On Thu, Apr 30, 2020 at 6:20 AM Hongyi Zhao <<a href="mailto:hongyi.zhao@gmail.com">hongyi.zhao@gmail.com</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left:1px solid rgb(204,204,204);padding-left:1ex">Hi,<br>
<br>
This q-e git develop version compiled with<br>
parallel_studio_xe/2020.0.088 on Ubuntu 19.10. Failed to pass the<br>
PW/examples/EXX_example. Some the error messages are as follows:<br>
<br>
=============<br>
Backtrace for this error:<br>
#0 0x7f4271162cb1 in ???<br>
#1 0x7f4271161e75 in ???<br>
#2 0x7f4270e0146f in ???<br>
#3 0x55675c97636f in __upf_auxtools_MOD_upf_check_atwfc_norm<br>
at /home/werner/Public/hpc/q-e/q-e.git/upflib/upf_auxtools.f90:91<br>
#4 0x55675c7b3a0b in __read_pseudo_mod_MOD_readpp<br>
at /home/werner/Public/hpc/q-e/q-e.git/Modules/read_pseudo.f90:293<br>
#5 0x55675c5190c4 in iosys_<br>
at /home/werner/Public/hpc/q-e/q-e.git/PW/src/input.f90:1554<br>
#6 0x55675c5a368e in run_pwscf_<br>
at /home/werner/Public/hpc/q-e/q-e.git/PW/src/run_pwscf.f90:91<br>
#7 0x55675c46a4bb in pwscf<br>
at /home/werner/Public/hpc/q-e/q-e.git/PW/src/pwscf.f90:106<br>
#8 0x55675c46a1be in main<br>
at /home/werner/Public/hpc/q-e/q-e.git/PW/src/pwscf.f90:40<br>
done<br>
cleaning /home/werner/Public/hpc/q-e/q-e.git/tempdir... done<br>
running carbon atom..<br>
Program received signal SIGSEGV: Segmentation fault - invalid memory reference.<br>
<br>
Backtrace for this error:<br>
<br>
Program received signal SIGSEGV: Segmentation fault - invalid memory reference.<br>
<br>
Backtrace for this error:<br>
#0 0x7f4053bd2cb1 in ???<br>
#1 0x7f4053bd1e75 in ???<br>
#2 0x7f405387146f in ???<br>
#3 0x5619063ce36f in __upf_auxtools_MOD_upf_check_atwfc_norm<br>
at /home/werner/Public/hpc/q-e/q-e.git/upflib/upf_auxtools.f90:91<br>
#4 0x56190620ba0b in __read_pseudo_mod_MOD_readpp<br>
at /home/werner/Public/hpc/q-e/q-e.git/Modules/read_pseudo.f90:293<br>
#5 0x561905f710c4 in iosys_<br>
at /home/werner/Public/hpc/q-e/q-e.git/PW/src/input.f90:1554<br>
#6 0x561905ffb68e in run_pwscf_<br>
at /home/werner/Public/hpc/q-e/q-e.git/PW/src/run_pwscf.f90:91<br>
#7 0x561905ec24bb in pwscf<br>
at /home/werner/Public/hpc/q-e/q-e.git/PW/src/pwscf.f90:106<br>
#8 0x561905ec21be in main<br>
at /home/werner/Public/hpc/q-e/q-e.git/PW/src/pwscf.f90:40<br>
#0 0x7fa482ec4cb1 in ???<br>
#1 0x7fa482ec3e75 in ???<br>
#2 0x7fa482b6346f in ???<br>
#3 0x55b22c58c36f in __upf_auxtools_MOD_upf_check_atwfc_norm<br>
at /home/werner/Public/hpc/q-e/q-e.git/upflib/upf_auxtools.f90:91<br>
#4 0x55b22c3c9a0b in __read_pseudo_mod_MOD_readpp<br>
at /home/werner/Public/hpc/q-e/q-e.git/Modules/read_pseudo.f90:293<br>
#5 0x55b22c12f0c4 in iosys_<br>
at /home/werner/Public/hpc/q-e/q-e.git/PW/src/input.f90:1554<br>
#6 0x55b22c1b968e in run_pwscf_<br>
at /home/werner/Public/hpc/q-e/q-e.git/PW/src/run_pwscf.f90:91<br>
#7 0x55b22c0804bb in pwscf<br>
at /home/werner/Public/hpc/q-e/q-e.git/PW/src/pwscf.f90:106<br>
#8 0x55b22c0801be in main<br>
at /home/werner/Public/hpc/q-e/q-e.git/PW/src/pwscf.f90:40<br>
done<br>
cleaning /home/werner/Public/hpc/q-e/q-e.git/tempdir... done<br>
running nitrogen atom..<br>
Program received signal SIGSEGV: Segmentation fault - invalid memory reference.<br>
<br>
Backtrace for this error:<br>
#0 0x7f6227f08cb1 in ???<br>
#1 0x7f6227f07e75 in ???<br>
#2 0x7f6227ba746f in ???<br>
#3 0x55faa514d36f in __upf_auxtools_MOD_upf_check_atwfc_norm<br>
at /home/werner/Public/hpc/q-e/q-e.git/upflib/upf_auxtools.f90:91<br>
#4 0x55faa4f8aa0b in __read_pseudo_mod_MOD_readpp<br>
at /home/werner/Public/hpc/q-e/q-e.git/Modules/read_pseudo.f90:293<br>
#5 0x55faa4cf00c4 in iosys_<br>
at /home/werner/Public/hpc/q-e/q-e.git/PW/src/input.f90:1554<br>
#6 0x55faa4d7a68e in run_pwscf_<br>
at /home/werner/Public/hpc/q-e/q-e.git/PW/src/run_pwscf.f90:91<br>
#7 0x55faa4c414bb in pwscf<br>
at /home/werner/Public/hpc/q-e/q-e.git/PW/src/pwscf.f90:106<br>
#8 0x55faa4c411be in main<br>
at /home/werner/Public/hpc/q-e/q-e.git/PW/src/pwscf.f90:40<br>
done<br>
cleaning /home/werner/Public/hpc/q-e/q-e.git/tempdir... done<br>
running n2 molecule..<br>
Program received signal SIGSEGV: Segmentation fault - invalid memory reference.<br>
<br>
Backtrace for this error:<br>
#0 0x7fec06aa9cb1 in ???<br>
#1 0x7fec06aa8e75 in ???<br>
#2 0x7fec0674846f in ???<br>
#3 0x55f159b1d36f in __upf_auxtools_MOD_upf_check_atwfc_norm<br>
at /home/werner/Public/hpc/q-e/q-e.git/upflib/upf_auxtools.f90:91<br>
#4 0x55f15995aa0b in __read_pseudo_mod_MOD_readpp<br>
at /home/werner/Public/hpc/q-e/q-e.git/Modules/read_pseudo.f90:293<br>
#5 0x55f1596c00c4 in iosys_<br>
at /home/werner/Public/hpc/q-e/q-e.git/PW/src/input.f90:1554<br>
#6 0x55f15974a68e in run_pwscf_<br>
at /home/werner/Public/hpc/q-e/q-e.git/PW/src/run_pwscf.f90:91<br>
#7 0x55f1596114bb in pwscf<br>
at /home/werner/Public/hpc/q-e/q-e.git/PW/src/pwscf.f90:106<br>
#8 0x55f1596111be in main<br>
at /home/werner/Public/hpc/q-e/q-e.git/PW/src/pwscf.f90:40<br>
done<br>
cleaning /home/werner/Public/hpc/q-e/q-e.git/tempdir... done<br>
running co molecule..<br>
Program received signal SIGSEGV: Segmentation fault - invalid memory reference.<br>
<br>
Backtrace for this error:<br>
#0 0x7f905b6ddcb1 in ???<br>
#1 0x7f905b6dce75 in ???<br>
#2 0x7f905b37c46f in ???<br>
#3 0x561d99d0d36f in __upf_auxtools_MOD_upf_check_atwfc_norm<br>
at /home/werner/Public/hpc/q-e/q-e.git/upflib/upf_auxtools.f90:91<br>
#4 0x561d99b4aa0b in __read_pseudo_mod_MOD_readpp<br>
at /home/werner/Public/hpc/q-e/q-e.git/Modules/read_pseudo.f90:293<br>
#5 0x561d998b00c4 in iosys_<br>
at /home/werner/Public/hpc/q-e/q-e.git/PW/src/input.f90:1554<br>
#6 0x561d9993a68e in run_pwscf_<br>
at /home/werner/Public/hpc/q-e/q-e.git/PW/src/run_pwscf.f90:91<br>
#7 0x561d998014bb in pwscf<br>
at /home/werner/Public/hpc/q-e/q-e.git/PW/src/pwscf.f90:106<br>
#8 0x561d998011be in main<br>
at /home/werner/Public/hpc/q-e/q-e.git/PW/src/pwscf.f90:40<br>
done<br>
cleaning /home/werner/Public/hpc/q-e/q-e.git/tempdir... done<br>
running o2 molecule..<br>
Program received signal SIGSEGV: Segmentation fault - invalid memory reference.<br>
<br>
Backtrace for this error:<br>
#0 0x7f5a7d467cb1 in ???<br>
#1 0x7f5a7d466e75 in ???<br>
#2 0x7f5a7d10646f in ???<br>
#3 0x5627517b936f in __upf_auxtools_MOD_upf_check_atwfc_norm<br>
at /home/werner/Public/hpc/q-e/q-e.git/upflib/upf_auxtools.f90:91<br>
#4 0x5627515f6a0b in __read_pseudo_mod_MOD_readpp<br>
at /home/werner/Public/hpc/q-e/q-e.git/Modules/read_pseudo.f90:293<br>
#5 0x56275135c0c4 in iosys_<br>
at /home/werner/Public/hpc/q-e/q-e.git/PW/src/input.f90:1554<br>
#6 0x5627513e668e in run_pwscf_<br>
at /home/werner/Public/hpc/q-e/q-e.git/PW/src/run_pwscf.f90:91<br>
#7 0x5627512ad4bb in pwscf<br>
at /home/werner/Public/hpc/q-e/q-e.git/PW/src/pwscf.f90:106<br>
#8 0x5627512ad1be in main<br>
at /home/werner/Public/hpc/q-e/q-e.git/PW/src/pwscf.f90:40<br>
done<br>
cleaning /home/werner/Public/hpc/q-e/q-e.git/tempdir... done<br>
<br>
<br>
/home/werner/Public/hpc/q-e/q-e.git/PW/examples/EXX_example : done<br>
<br>
=============<br>
<br>
Any hints for this problem?<br>
<br>
Regards<br>
-- <br>
Hongyi Zhao <<a href="mailto:hongyi.zhao@gmail.com" target="_blank">hongyi.zhao@gmail.com</a>><br>
_______________________________________________<br>
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</blockquote></div><br clear="all"><br>-- <br><div dir="ltr" class="gmail_signature"><div dir="ltr"><div><div dir="ltr"><div>Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,<br>Univ. Udine, via delle Scienze 208, 33100 Udine, Italy<br>Phone +39-0432-558216, fax +39-0432-558222<br><br></div></div></div></div></div>