Please look at the rec.out file to see if anything has gone wrong.
On Sat, 2 Jan 2021 at 00:48, assawin daducale <sayong4.hotmail.com> wrote:
> Dear all amber users
> I am trying to run pmemd.cuda -O -i 1min1.in -o rec.out -p
> complex_wat.prmtop -c complex_wat.rst7 -r 1_rec.out -ref complex_wat.rst7
> and the following line occurs
> cudaMalloc GpuBuffer:: Allocate failed out of memory
> How can I do to solve it ? I cannot run md next step because of it.
>
> I have 1 gpu which is GTX1060 and I do single run.
> Thanks.
> Assawin Daducale
>
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--
Best Regards
Elvis
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Received on Fri Jan 01 2021 - 21:00:02 PST