[AMBER] Error: an illegal memory access was encountered launching kernel kClearForces

From: Állan Ferrari <ajrferrari.gmail.com>
Date: Sun, 27 Feb 2022 19:18:11 -0600

Hi,

I am running some simulations for homologous proteins.
As part of my protocol, I run:
- Minimization: 10,000 steps
- NVT equilibration: 10,000 steps and restraints in all protein atoms
- NPT equilibration: 10,000 steps and restraints in all protein atoms (k=10)
- NPT equilibration: 10,000 steps and restraints in all backbone protein
atoms (k=10)
- NPT equilibration: 10,000 steps and w/o restraints
- Production run at 300 K

I'm getting an error right after minimization, in the NVT step.

Error: an illegal memory access was encountered launching kernel
kClearForces

The NVT equilibration starts but does not proceed. See the nvt.log file
attached.

Is this a common error? What can I do to solve this?

Regards,


-- 
*Állan*



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Received on Sun Feb 27 2022 - 17:30:03 PST
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