[gmx-users] gmx spatial error

Dallas Warren dallas.warren at monash.edu
Thu Dec 12 21:55:46 CET 2019


Get more memory or process a smaller amount (atoms or trajectory).

http://manual.gromacs.org/documentation/current/user-guide/run-time-errors.html#out-of-memory-when-allocating

Catch ya,

Dr. Dallas Warren
Drug Delivery, Disposition and Dynamics
Monash Institute of Pharmaceutical Sciences, Monash University
381 Royal Parade, Parkville VIC 3052
dallas.warren at monash.edu
---------------------------------
When the only tool you own is a hammer, every problem begins to resemble a
nail.


On Thu, 12 Dec 2019 at 21:24, Apramita Chand <apramita.chand at gmail.com>
wrote:

> Dear All,
> I'm coming across the error "Failed to calloc -9223372036854775808 elements
> of size 8 for bin" while running gmx spatial.
> I have three four systems and for the others -nab option with 100 worked
> fine but here, even after increasing -nab to 1000 , it shows insufficient
> memory.
>
> What could be done?
>
> Thanks,
> Apramita
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