xiongyan21

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I have run the recently implemented ducc and the hyperpolarizability calculation sequentially using 5 threads,all at ccsd level, and it works! [hfhyper6.log](https://github.com/nwchemgit/nwchem/files/4398534/hfhyper6.log) [ccsd.log](https://github.com/nwchemgit/nwchem/files/4402816/ccsd.log)

I don't think so, either, and I just wish to show this two can work sequentially.

It also failed on Mac. [333.log](https://github.com/nwchemgit/nwchem/files/4120328/333.log) The following error message appeared in the terminal Program received signal SIGILL: Illegal instruction. Backtrace for this error: #0 0x1166ae58c #1 0x1166ad923 #2 0x7fff6abedb5c...

When running the example serially using NWCHEM6.8 and NWCHEM7.0.0, the errors are the same ... Program received signal SIGSEGV: Segmentation fault - invalid memory reference. The log files are attached...

I have retried the example using NWCHEM7.0.2, just compiled from source, but it still encountered the same mistake, although the layout in the log file is different. It seems it...

I can verify the first excitation energy obtained is the first IP using NWCHEM because when I changed the keyword IPCCSD into CCSD in TCE, the obtained first excitation energy...