I can reproduce the bug but I'm not sure what's going on yet. I'll
keep looking into it and see what I can find.
-Dan
On Tue, Mar 5, 2019 at 10:32 AM Debarati DasGupta
<debarati_dasgupta.hotmail.com> wrote:
>
> Hi,
> I just did a small minimization on a TIP3P water box containing ~350 water molecules. I am sending my input files so that somebody could reproduce the error!
>
> I get this error which I cannot understand clearly. Any help will be appreciated.
> thanks
>
> Program received signal SIGSEGV: Segmentation fault - invalid memory reference.
>
> Backtrace for this error:
> #0 0x7FE6D1CF7697
> #1 0x7FE6D1CF7CDE
> #2 0x7FE6D11F327F
> #3 0x597E88 in __ew_recip_MOD_fill_charge_grid
> #4 0x5989CC in __ew_recip_MOD_do_pmesh_kspace
> #5 0x55DC8A in do_pme_recip_
> #6 0x56093A in ewald_force_
> #7 0x7406A3 in force_
> #8 0x4EFCD9 in runmin_
> #9 0x4DA5BF in sander_
> #10 0x4D13F5 in MAIN__ at multisander.F90:?
> Segmentation fault (core dumped)
>
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Received on Mon Mar 11 2019 - 13:00:02 PDT
