[Columbus] GEOMOPT TEST C2H4_2-SAMC

[Rene F. K. Spada]

Dear Gary,

I am currently investigating a similar issue in the code MCSCF.

Thank you for reporting this also. Maybe I can get more useful information.



Em seg., 20 de jun. de 2022 às 15:58, Gary Kedziora via Columbus <
columbus at lists.osc.edu> escreveu:

> Dear Columbus Developers, I compiled the public GitLab version with
> standard and gradients options. In the test GEOMOPT/C2H4_2-SAMC I’m getting
> a segfault in mcscf.x. The last bit of mcscfls is Computing the requested
> mcscf (transition) density
>
> Dear Columbus Developers,
>
>
>
> I compiled the public GitLab version with standard and gradients options.
> In the test GEOMOPT/C2H4_2-SAMC I’m getting a segfault in mcscf.x.  The
> last bit of mcscfls is
>
>
>
> Computing the requested mcscf (transition) density matrices (flag 30)
>
> Reading mcdenin ...
>
> Number of density matrices (ndens):                     1
>
> Number of unique bra states (ndbra):                     1
>
> *** Starting rdft_grd
>
> qind: F
>
>
>
> Is this a known issue, or perhaps only for the system I’m using.  It is a
> HPE SGI 8600 with Skylake processors and I used Intel compilers.
>
>
>
> Thanks,
>
> Gary
> _______________________________________________
> Columbus mailing list
> Columbus at lists.osc.edu
> https://lists.osu.edu/mailman/listinfo/columbus



-- 


*Rene Felipe Keidel SpadaFísico por Formação, Humano por Natureza*
*Instituto Tecnológico de Aeronáutica*
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