NX/Turbomol: problem running parallel job

[Reza Omidyan]

Dear Newton-X support team,

I am working with Newton-X (V 2.4) interfaced to Turbomole (7.1), using the ADC(2) theoretical model. The calculations would be transferred and consequently running on  a cluster system using a job.slurm script. Although the environment of Turbomole has been adjusted for parallel (smp) (both in the .bashrc and .slurm script, once I am running a Trajectory, it is getting executed only on a single cpu. 

I checked the turbomole.par file and it also indicated "parallel = 1".

I am wondering if before obtaining the trajectories, should I adjust this issue?

or the problem is arising from another source. 

My sincere appreciation for any comment how to fix it.

Thank you in advance from your help

All of the best wishes

Sincerely: Reza

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Reza Omidyan,
Associate Professor of Physical Chemistry
Department of Chemistry, University of Isfahan
Isfahan 81746-73441, Iran.
Tel: +98 31 3793 4936
Fax: +98 31 3668 9732
E-Mail: r.om...@sci.ui.ac.ir, rezaom...@gmail.com