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.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>>
Date: Oct 16, 2017 8:26 AM
Subject: Running Explicit pH MD
To: "AMBER Mailing List" <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
_______________________________________________
AMBER mailing list
AMBER.ambermd.org<mailto:AMBER.ambermd.org>
https://urldefense.proofpoint.com/v2/url?u=http-3A__lists.ambermd.org_mailman_listinfo_amber&d=DwICAg&c=pZJPUDQ3SB9JplYbifm4nt2lEVG5pWx2KikqINpWlZM&r=LIQu8OlVNKmzfbMg9_5FnKrt9-DrdQBJXyFyocKAWXc&m=0CzOuk-2YLh1F6uUAFND6WOjwV7GcNk39lYXolp9Hv4&s=zK4HAG10w8rXNdJ7QSX1RdykLqqoPJ13oLUF96YMio8&e=
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Oct 30 2017 - 08:30:02 PDT
