From: David Hardy (dhardy_at_ks.uiuc.edu)
Date: Wed Feb 24 2021 - 13:28:23 CST
Hi Eddie,
This looks similar to the error that Lorenzo recently reported.
Would you be willing to share your data set for us to try to reproduce this error locally? Although we don’t have your exact hardware setup, we do have a few multi-GPU platforms in-house that we could try.
Best regards,
Dave
-- David J. Hardy, Ph.D. Beckman Institute University of Illinois at Urbana-Champaign 405 N. Mathews Ave., Urbana, IL 61801 dhardy_at_ks.uiuc.edu, http://www.ks.uiuc.edu/~dhardy/ > On Feb 23, 2021, at 11:49 AM, Dr. Eddie <eackad_at_gmail.com> wrote: > > Hello, > I'm trying to get a small 150k system working with namd3. > I am using 4 gtx1080's with the command > nice -n 5 /home/eddie/binaries/NAMD_3.0alpha7_Linux-x86_64-multicore-CUDA/namd3 +p4 +idlepoll +setcpuaffinity +devices 0,1,2,3 step5_production.inp > > I get the error: > FATAL ERROR: CUDA error cub::DeviceSelect::If(d_temp_storage, temp_storage_bytes, hgi, hgi, d_nHG, natoms, notZero(), stream) in file src/SequencerCUDAKernel.cu, function buildRattleLists, line 4461 > on Pe 0 (node10.cl.siue.edu <https://urldefense.com/v3/__http://node10.cl.siue.edu__;!!DZ3fjg!vsAnMqOceXLf3noTlGGQZngwX7S0_fAHxuf_sBu3qz4_Up4XE-C_4gEdnrWauu7kXw$> device 0 pci 0:2:0): invalid device function > > and > CUDANBOND[2]: Allocating patch data structure with 87 patches! > CUDANBOND[3]: Allocating patch data structure with 101 patches! > CUDANBOND[1]: Allocating patch data structure with 89 patches! > CUDANBOND[0]: Allocating patch data structure with 114 patches! > FATAL ERROR: CUDA error cub::DeviceSelect::If(d_temp_storage, temp_storage_bytes, hgi, hgi, d_nHG, natoms, notZero(), stream) in file src/SequencerCUDAKernel.cu, function buildRattleLists, line 4461 > on Pe 0 (node10.cl.siue.edu <https://urldefense.com/v3/__http://node10.cl.siue.edu__;!!DZ3fjg!vsAnMqOceXLf3noTlGGQZngwX7S0_fAHxuf_sBu3qz4_Up4XE-C_4gEdnrWauu7kXw$> device 0 pci 0:2:0): invalid device function > > Any ideas? I know these are commerical gpus, is that an issue? > Thanks, > Eddie
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