linux multiwfn localization bug

plus

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

冰释之川

Did you use the latest development version of Multiwfn ?

plus

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

冰释之川

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

sobereva

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.

plus

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