Dear all,
recently upgraded Gromacs 5.1.4 with GTX 780TI on Ubuntu 16.04 with a new
GPU GTX1080TI. CUDA from 7.5 to 8. Driver 384.
Problem: GPU not detected during MD run. Details are as follows:
1) Running on 1 node with total 8 cores, 8 logical cores, 0 compatible GPUs
Hardware detected:
But deviceQuery as follows
2) ./deviceQuery
./deviceQuery Starting...
CUDA Device Query (Runtime API) version (CUDART static linking)
Detected 1 CUDA Capable device(s)
Device 0: "GeForce GTX 1080 Ti"
CUDA Driver Version / Runtime Version 9.0 / 8.0
CUDA Capability Major/Minor version number: 6.1
Total amount of global memory: 11169 MBytes (11711807488
bytes)
(28) Multiprocessors, (128) CUDA Cores/MP: 3584 CUDA Cores
GPU Max Clock rate: 1658 MHz (1.66 GHz)
Memory Clock rate: 5505 Mhz
Memory Bus Width: 352-bit
L2 Cache Size: 2883584 bytes
Maximum Texture Dimension Size (x,y,z) 1D=(131072), 2D=(131072,
65536), 3D=(16384, 16384, 16384)
Maximum Layered 1D Texture Size, (num) layers 1D=(32768), 2048 layers
Maximum Layered 2D Texture Size, (num) layers 2D=(32768, 32768), 2048
layers
Total amount of constant memory: 65536 bytes
Total amount of shared memory per block: 49152 bytes
Total number of registers available per block: 65536
Warp size: 32
Maximum number of threads per multiprocessor: 2048
Maximum number of threads per block: 1024
Max dimension size of a thread block (x,y,z): (1024, 1024, 64)
Max dimension size of a grid size (x,y,z): (2147483647, 65535, 65535)
Maximum memory pitch: 2147483647 bytes
Texture alignment: 512 bytes
Concurrent copy and kernel execution: Yes with 2 copy engine(s)
Run time limit on kernels: Yes
Integrated GPU sharing Host Memory: No
Support host page-locked memory mapping: Yes
Alignment requirement for Surfaces: Yes
Device has ECC support: Disabled
Device supports Unified Addressing (UVA): Yes
Device PCI Domain ID / Bus ID / location ID: 0 / 1 / 0
Compute Mode:
< Default (multiple host threads can use ::cudaSetDevice() with device
simultaneously) >
deviceQuery, CUDA Driver = CUDART, CUDA Driver Version = 9.0, CUDA Runtime
Version = 8.0, NumDevs = 1, Device0 = GeForce GTX 1080 Ti
Result = PASS
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