Multiwfn official website: //www.umsyar.com/multiwfn. Multiwfn forum in Chinese: http://bbs.keinsci.com/wfn
You are not logged in.
Pages:1
Hi,
I am using IGMH for some of my work which I will be publishing. I was looking for a citation for IGMH, but could not find it. Could you please provide it.
Thank you,
Jerry
Dear Tian,
I set my paths correctly and the path to my Orca orca_2mkl was found and is being read correctly (I am using Orca gbw files). However, 'nthreads=12' still has the code running on 4 cores only.
Best regards,
Jerry
Hi,
I'm new to Multiwfn. I have installed 3.8-dev from source on a RHEL 7 system. I ran a job on a node that had 8 cores. I changed nthreads to 'nthreads=8', but Multiwfn still ran the job on 4 threads. I also tried the v 3.7 Linux binary and experienced the same problem. Is there a reason settings.ini is not being read?
Thank you,
Jerry
Pages:1