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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Received on Mon Oct 30 2017 - 08:30:04 PDT
