Multiwfn forum

rezabma

Member

Registered: 2020-02-23

Posts: 21

parallel job

Hi,
On a 8-core system, I set 8 threads in setting file (on centos 7), but the maximum CPU% is 400 that means it uses only 4 core. How can set to use all 8 core?

sobereva

Tian Lu (Multiwfn developer)

From: Beijing

Registered: 2017-09-11

Posts: 1,765

Website

Re: parallel job

After booting up Multiwfn, please carefully check the message shown on screen, if the settings.ini file was not found by Multiwfn, then Multiwfn will use default parameter, namely use 4 cores.

If you haven't set "Multiwfnpath" environment variable as mentioned in Section 2.1.2 of manual, please set it first, otherwise Multiwfn will be unable to locate settings.ini file if this file is not at current folder.

rezabma

Member

Registered: 2020-02-23

Posts: 21

Re: parallel job

Thanks. problem solved. Sorry for this carelessness.