Running Dalton

Find answers or ask questions regarding Dalton calculations.
Please upload an output file showing the problem, if applicable.
(It is not necessary to upload input files, they can be found in the output file.)

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Posts: 11
Joined: 01 Apr 2015, 03:56
First name(s): sharmistha
Last name(s): das
Affiliation: student
Country: India

Running Dalton

Post by s.das » 27 Jun 2015, 05:50


I am always running dalton job from build folder. Can anyone let me know how do I run my job from any folder ?

Posts: 74
Joined: 11 Nov 2013, 00:36
First name(s): Youzhao
Last name(s): Lan
Affiliation: Institute of Physical Chemistry
Country: China

Re: Running Dalton

Post by lyzhao » 27 Jun 2015, 06:02

set PATH to your dalton scrpit or run dalton using an absolute path.
then you can run dalton anywhere.
set PATH
export PATH=$PATH:your path of dalton scrpit
or run dalton by:
/home/your path/dalton [options] inputfiles


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