Hi Wilian,
I was able to run the constant pH simulation in explicit solvent without
any issues using pmemd. The problem only arises when I try to run the
simulation using pmemd.cuda. The production step does not run and I
immediately get an error saying "cudaMemcpy** GpuBuffer:: Upload failed an
illegal memory access was
encountered*"
Sayuri Pacheco
On Mon, Oct 30, 2017 at 8:24 AM, Cruzeiro,Vinicius Wilian D <
vwcruzeiro.ufl.edu> wrote:
> This is a pmemd.cuda error, but you said the simulation also crashes when
> you use pmemd serial, correct? What is the error printed in this case?
>
>
> VinÃcius Wilian D Cruzeiro
>
> PhD Candidate
> Department of Chemistry, Physical Chemistry Division
> University of Florida, United States
>
> Voice: +1(352)846-1633<tel:+1(352)846-1633>
>
> On Oct 30, 2017, at 11:21 AM, Pacheco, Sayuri <sayuri.pacheco.987.my.csun.
> edu<mailto:sayuri.pacheco.987.my.csun.edu>> wrote:
>
> This is the error I'm getting
>
> "cudaMemcpy GpuBuffer::Upload failed an illegal memory access was
> encountered"
>
>
> On Mon, Oct 30, 2017 at 8:14 AM, Cruzeiro,Vinicius Wilian D <
> vwcruzeiro.ufl.edu<mailto:vwcruzeiro.ufl.edu>> wrote:
>
> Dear Sayuri,
>
> We need more information so we can try to help you. What is the error you
> are getting when you run pmemd serial?
>
> Thanks,
>
>
> VinÃcius Wilian D Cruzeiro
>
> PhD Candidate
> Department of Chemistry, Physical Chemistry Division
> University of Florida, United States
>
> Voice: +1(352)846-1633<tel:+1(352)846-1633>
>
> On Oct 30, 2017, at 10:32 AM, Pacheco, Sayuri <sayuri.pacheco.987.my.csun<
> mailto:sayuri.pacheco.987.my.csun>.
> edu<mailto:sayuri.pacheco.987.my.csun.edu>> wrote:
>
> ---------- Forwarded message ----------
> From: "Pacheco, Sayuri" <sayuri.pacheco.987.my.csun.edu<mailto:
> sayuri.pacheco.987.my.csun.edu><mailto:
> sayuri.pacheco.987.my.csun.edu<mailto:sayuri.pacheco.987.my.csun.edu>>>
> Date: Oct 16, 2017 8:26 AM
> Subject: Running Explicit pH MD
> To: "AMBER Mailing List" <amber.ambermd.org<mailto:amber.ambermd.org
> ><mailto:amber.ambermd.org>>
> Cc:
>
> Dear All,
>
> I have been trying to run a constant pH explicit solvent MD using
> pmemd.cuda and while running the production step I get the following error
> c*udaMemcpy** GpuBuffer:: Upload failed an illegal memory access was
> encountered*. When I tried running the MD with pmemd the simulation ran
> without a problem for a few minutes and then it crashed (icnstph=2) . Do
> you know what might cause this error message?
>
> P.S I ran the simulation with no problem when I set icnstph= 0 with pmemd
> and pmemd.cuda. When I changed icnstph to 2 the simulations crashed with
> both pmemd and pmemd.cuda.
>
> Sincerely,
> Sayuri Pacheco
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> --
> Sayuri Pacheco
> California State University, Northridge
> Biochemistry Major
> Undergraduate Biomedical Researcher
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--
Sayuri Pacheco
California State University, Northridge
Biochemistry Major
Undergraduate Biomedical Researcher
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Received on Thu Nov 09 2017 - 23:00:02 PST
