[AMBER] pmemd.cuda fails with "cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol"

From: Laura SCALVINI <laura.scalvini.unipr.it>
Date: Mon, 3 May 2021 08:08:18 +0000

Dear Amber users,

I am installing Amber16 with AmberTools17 on a redhat 7 workstation with 2 NVIDIA GeForce RTX 3070. I have installed the Nvidia Driver version 460.73.01 and the Cuda toolkit 8.0 version 8.0.61. I can successfully install the pmemd.mpi and pmemd.cuda modules, but when I try to run a MD simulation on a minimized benchmark system (already tested on Amber16 running pmemd.cuda, with different GPU and NVIDIA drivers, but same Cuda toolkit) the simulation fails with the following error:

cudaMemcpyToSymbol: SetSim copy to cSim failed invalid device symbol

I am writing to ask if there are some inconsistencies between the cuda toolkit version/Amber version and the GPUs I have installed/NVIDIA drivers version, and if you can suggest any tip to overcome this issue.

Many thanks in advance for your time and help,
Best regards


Laura Scalvini, PhD
University of Parma - Food and Drug Department
Parco Area delle Scienze 27/A 43124-Parma
+39 0521-905063

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Received on Mon May 03 2021 - 01:30:01 PDT
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