<![CDATA[Multiwfn forum / parallel job]]> http://sobereva.com/wfnbbs/viewtopic.php?id=288 Sun, 01 Mar 2020 17:10:49 +0000 FluxBB <![CDATA[Re: parallel job]]> http://sobereva.com/wfnbbs/viewtopic.php?pid=918#p918 Thanks. problem solved. Sorry for this carelessness.

]]> Sun, 01 Mar 2020 17:10:49 +0000 http://sobereva.com/wfnbbs/viewtopic.php?pid=918#p918 <![CDATA[Re: parallel job]]> http://sobereva.com/wfnbbs/viewtopic.php?pid=915#p915 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.

]]> Sun, 01 Mar 2020 13:17:42 +0000 http://sobereva.com/wfnbbs/viewtopic.php?pid=915#p915 <![CDATA[parallel job]]> http://sobereva.com/wfnbbs/viewtopic.php?pid=914#p914 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?

]]> Sun, 01 Mar 2020 11:39:54 +0000 http://sobereva.com/wfnbbs/viewtopic.php?pid=914#p914