Hi, I was told that:
which means I should expect the CPU time to be less than the elapsed time by a factor of N, where N is the number of cores used.
However, in my Gaussian calculation, CPU time is equal to the elapsed time. My question is, was the job done on a single core? if it did, how do I enable it to run on multi-cores? I did my calculation on a Windows machine.
Thank you in advance.
Yes, it looks like the job was run using a single core, hence CPU and elapsed time are almost the same. Without seeing your input it's hard to say what went wrong.
Hello Faizani Mohd-Noor, I am unsure what went wrong with your calculation. I suggest using %cpu=0-37, which will allocate 38 CPUs, rather than using %nprocshared, an older command.
For more information, you may find the following link helpful: https://gaussian.com/running/
Dilawar Singh Sisodiya , I have never tried using %cpu. I'll try using that and see how it goes, thank you.
Bartosz Trzaskowski Thank you. If it's not too much to ask, is it okay if I DM you the files?
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