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标题: linux multiwfn localization bug [打印本页]

作者
Author: plus 时间: 2022-1-19 10:05
标题: linux multiwfn localization bug
centos7.8

multiwfn benzene.fchk
19
1

Localizing occupied orbitals...
Cycle: 1  P:    10.71382042  Delta P:    10.71382042
Cycle: 2  P:    13.16573750  Delta P:    2.45191709
Cycle: 3  P:    13.35277001  Delta P:    0.18703250
Cycle: 4  P:    13.35363295  Delta P:    0.00086294
Cycle: 5  P:    13.35363579  Delta P:    0.00000285
Successfully converged!

Orbital localization took up wall clock time       0 s

forrtl: severe (174): SIGSEGV, segmentation fault occurred
Image             PC             Routine          Line       Source
Multiwfn          0000000001D992DA  Unknown             Unknown  Unknown
libpthread-2.17.s  00007F4850FC3630  Unknown             Unknown  Unknown
Multiwfn          00000000008A1874  Unknown             Unknown  Unknown
Multiwfn          0000000000B2A419  Unknown             Unknown  Unknown
Multiwfn          00000000007E91C1  Unknown             Unknown  Unknown
Multiwfn          000000000040C422  Unknown             Unknown  Unknown
libc-2.17.so    00007F4850C08555  __libc_start_main    Unknown  Unknown
Multiwfn          000000000040C329  Unknown             Unknown  Unknown

作者
Author: 冰释之川 时间: 2022-1-19 10:13
Did you use the latest development version of Multiwfn ?

作者
Author: plus 时间: 2022-1-19 10:17

冰释之川发表于 2022-1-19 10:13
Did you use the latest development version of Multiwfn ?

Multiwfn_3.8_dev_src_Linux

作者
Author: 冰释之川 时间: 2022-1-19 10:30
本帖最后由冰释之川于 2022-1-19 10:33 编辑

plus 发表于 2022-1-19 10:17
Multiwfn_3.8_dev_src_Linux

Please confirm the release date of Multiwfn you are using is the newest one since it often updates.You can use the Multiwfn Updater to update Multiwfn in a convenient way:
http://bbs.keinsci.com/thread-20109-1-1.html

作者
Author: sobereva 时间: 2022-1-19 11:06
Make sure that you have correctly installed Multiwfn by following Section 2.1.2 of Multiwfn manual.
This is never necessarily a bug of Multiwfn.

作者
Author: plus 时间: 2022-1-19 22:04

sobereva 发表于 2022-1-19 11:06
Make sure that you have correctly installed Multiwfn by following Section 2.1.2 of Multiwfn manual.
...

多谢了

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