nvidia issue with namd12 Debian 11

From: Francesco Pietra (chiendarret_at_gmail.com)
Date: Mon Jan 17 2022 - 03:15:17 CST

With a Debian 11 box with two GTX 680 I am unable to get them working. The
problem occurred with upgrading from debian 10 to 11 and, from namd 11 to
12 (/NAMD_Git-2021-11-27_Linux-x86_64-multicore-CUDA)

nvidia-driver 460.91.03-1
linux-image-amd64 5.10.84-1
linux kernel 5.10.0-10-amd64

Error when trying a minimization:

TCL: Minimizing for 3000 steps
FATAL ERROR: CUDA error cudaStreamSynchronize(stream) in file
src/CudaTileListKernel.cu, function sortTileLists, line 1577
 on Pe 2 (gig64 device 0 pci 0:2:0): an illegal memory access was
encountered
FATAL ERROR: CUDA error cudaStreamSynchronize(stream) in file
src/CudaTileListKernel.cu, function sortTileLists, line 1577
 on Pe 2 (gig64 device 0 pci 0:2:0): an illegal memory access was
encountered
[Partition 0][Node 0] End of program
FATAL ERROR: CUDA error cudaStreamSynchronize(stream) in file
src/CudaTileListKernel.cu, function sortTileLists, line 1577
 on Pe 4 (gig64 device 1 pci 0:3:0): an illegal memory access was
encountered
FATAL ERROR: CUDA error cudaStreamSynchronize(stream) in file
src/CudaTileListKernel.cu, function sortTileLists, line 1577
 on Pe 4 (gig64 device 1 pci 0:3:0): an illegal memory access was
encountered

I have also reconfigured the xserver, at no avail.

I have noticed issues about namd12/nvidia on the web, apparently
unresolved.

Thanks for advice
francesco pietra

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