Dear Amber users and developers,
I am trying to run remd simulation by using Amber20 pmemd.cuda_SPFP.MPI on
multiple gpus. I have 6 replicas, and correspondingly I want to use 6 gpus.
Unfortunately, I got error messages like the following,
*+ mpirun -np 6 /home/jf/soft/amber20/bin/pmemd.cuda_SPFP.MPI -ng 6
-groupfile equilibrate.groupfile Running multipmemd version of pmemd
Amber20 Total processors = 6 Number of groups = 6cudaMalloc
GpuBuffer::Allocate failed all CUDA-capable devices are busy or
unavailablecudaMalloc GpuBuffer::Allocate failed all CUDA-capable devices
are busy or unavailablecudaMalloc GpuBuffer::Allocate failed all
CUDA-capable devices are busy or unavailablecudaMalloc GpuBuffer::Allocate
failed all CUDA-capable devices are busy or unavailablecudaMalloc
GpuBuffer::Allocate failed all CUDA-capable devices are busy or unavailable*
Could anyone help me to fix this problem? Thanks in advance !
Best regards,
Jinfeng
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Received on Sun Sep 05 2021 - 07:00:02 PDT
