Hi Mohamed
I send you the .out file, in addition to the configuration file.
Before SMD, I had done molecular dynamics and minimization calculations on amber and they ended well. Now I must do SMD and it falls off just beginning.
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Francisca Rodríguez Cabello
Estudiante Ingeniería Civil en Bioinformática
Universidad de Talca, Chile
________________________________
De: Mohamed Aboelnga <mohamed.aboelnga.uwaterloo.ca>
Enviado: jueves, 13 de enero de 2022 21:56
Para: AMBER Mailing List <amber.ambermd.org>
Asunto: Re: [AMBER] How to solve Error: an illegal memory access was encountered launching kernel kClearForces on amber?
Can you provide your output file which has this error so we could help you better?
________________________________
From: natalia francisca rodriguez cabello <nrodriguez13.alumnos.utalca.cl>
Sent: January 13, 2022 2:16 PM
To: amber.ambermd.org <amber.ambermd.org>
Subject: [AMBER] How to solve Error: an illegal memory access was encountered launching kernel kClearForces on amber?
How to solve Error: an illegal memory access was encountered launching kernel kClearForces on amber?
I am running SMD but the calculations are falling.The error obtained is: Error: an illegal memory access was encountered launching kernel kClearForces. It doesn't provide much information about it, I haven't found a solution in other forums either.
----------------------------------------
Francisca Rodríguez Cabello
Estudiante Ingeniería Civil en Bioinformática
Universidad de Talca, Chile
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