Multiwfn forum

amin.alibakhshi@hotmail.c

Member

Registered: 2019-08-25

Posts: 23

error forrtl: severe (174): SIGSEGV, segmentation fault

Hi all,
I am new in Multiwfn and am trying to run the first job which is a RESP point charge calculation. As soon as I type Multiwfn and run the code in Linux, for the next step I type the fchk name "1.fchk" and after few second the error "error forrtl: severe (174): SIGSEGV, segmentation fault" and the Multiwfn stops.
I am using the latest version of the Multiwfn on a Lunix HPC cluster.
Do you have any idea how to fix this issue?
Thanks in advance for your help.
Amin

Last edited by amin.alibakhshi@hotmail.c (2019-08-25 12:58:32)

sobereva

Tian Lu (Multiwfn developer)

From: Beijing

Registered: 2017-09-11

Posts: 1,773

Website

Re: error forrtl: severe (174): SIGSEGV, segmentation fault

Please make sure that you have configured your system exactly according to Section 2.1.2; in particular, do not forget to add "ulimit -s unlimited" into ~/.bashrc file. Commonly, the reason of this error is caused by limitation of available memory that can be allocated for Multiwfn.

amin.alibakhshi@hotmail.c

Member

Registered: 2019-08-25

Posts: 23

Re: error forrtl: severe (174): SIGSEGV, segmentation fault

Many thanks Tian Liu, for your prompt help and also the wonderful work.
the "ulimit -s unlimited" solved the problem, as you said :-)
thanks again.

Last edited by amin.alibakhshi@hotmail.c (2019-08-25 16:07:21)

prasanta13

Member

Registered: 2018-12-30

Posts: 39

Re: error forrtl: severe (174): SIGSEGV, segmentation fault

Dear Tian, I am also facing same problem. I was using the 3.7 dev version and changed to stable one but the problem persists when using the .gbw file (since the wfn file do not contain the basis information, as stated by Multiwfn).
The error is as followed, when utilizing "4.2.4 Decompose properties at a critical point as orbital contributions" on the manual.

Calculating atomic contributions to orbitals by Hirshfeld method...
forrtl: severe (174): SIGSEGV, segmentation fault occurred
forrtl: severe (174): SIGSEGV, segmentation fault occurred
forrtl: severe (174): SIGSEGV, segmentation fault occurred

I am using Ubuntu 18.04
The bash section is as followed
#Multiwfn
export KMP_STACKSIZE=20000000000
export Multiwfnpath=/home/prasanta/Multiwfn/Multiwfn_3.7_bin_Linux/
export PATH=$PATH:/home/prasanta/Multiwfn/Multiwfn_3.7_bin_Linux/
ulimit -s unlimited

It also sourced properly.
What could be the problem?
Thanks in advance...

sobereva

Tian Lu (Multiwfn developer)

From: Beijing

Registered: 2017-09-11

Posts: 1,773

Website

Re: error forrtl: severe (174): SIGSEGV, segmentation fault

Dear Tian, I am also facing same problem. I was using the 3.7 dev version and changed to stable one but the problem persists when using the .gbw file (since the wfn file do not contain the basis information, as stated by Multiwfn).
The error is as followed, when utilizing "4.2.4 Decompose properties at a critical point as orbital contributions" on the manual.

Calculating atomic contributions to orbitals by Hirshfeld method...
forrtl: severe (174): SIGSEGV, segmentation fault occurred
forrtl: severe (174): SIGSEGV, segmentation fault occurred
forrtl: severe (174): SIGSEGV, segmentation fault occurred
...

Please compress the input file and send it to my E-mail box, and show me all commands you inputted in Multiwfn, and also send me the settings.ini file. I will check.