Please check:
$WIENROOT/SRC_lapw0/compile.msg
Any errors/warnings during compilation ?
Look into case.clmsum.
Do you see "normal" numbers, or are they all zero (or nan) ??
Maybe post case.struct and case.in0 so that we can check your basic
input files.
Am 08.01.2021 um 07:20 schrieb Ramazan KATIRCI:
Hello,
- I am running wien version 19.2 on a machine of Intel(R)Xeon(R) W-2125 CPU @
4.00GH with
Ubuntu 20.04.1 LTS WSL on Windows professional workstation, fortran compiler
ifort and math libraries mkl.
I boutght this software (wien2k 19.2) 2-3 weeks ago. I try to install it, but I
could not manage.
init_lapw command is running without problem. But when I start to run SCF. I
encountered the problem. The message output is presented below.
----------------------------------------------------------------
stop error
grep: lapw2*.error: No such file or directory
grep: *scf1*: No such file or directory
lapw0 0000000000404AEE Unknown Unknown Unknown
libc-2.31.so 00007FB00CBF70B3 __libc_start_main Unknown Unknown
lapw0 0000000000404BE2 Unknown Unknown Unknown
lapw0 0000000000466136 MAIN__ 2295 lapw0.F
lapw0 00000000004ADAE9 xcpot1_ 1 xcpot1.f
libpthread-2.31.s 00007FB0199623C0 Unknown Unknown Unknown
lapw0 0000000000A3385A Unknown Unknown Unknown
Image PC Routine Line Source
forrtl: severe (174): SIGSEGV, segmentation fault occurred
---------------------------------------------------------------
I could not solve this problem.
Although I am a registered user, I cannot reach this website
https://www.mail-archive.com/. Therefore, I could not read the messages about
this problem on this website. But I read the user manual and searched the other
websites. Actually I installed all libraries required in the user manual. Since
I bought this software, I couldn't manage to run SCF. I used the TiC example
you told in the user manual.
Please help me as soon as possible to solve this problem.
Sincerely
Ramazan Katırcı
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--
--------------------------------------------------------------------------
Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-165300 FAX: +43-1-58801-165982
Email: bl...@theochem.tuwien.ac.at WIEN2k: http://www.wien2k.at
WWW: http://www.imc.tuwien.ac.at
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