Hello,
I have compiled my Gromacs 2019v3 with the following command line in a
GPU workstation:
env CC=mpicc CXX=mpicxx F77=mpif90 FC=mpif90 LDF90=mpif90 cmake ..
-DCMAKE_INSTALL_PREFIX=/soft/gromacs/2019v3-intel -DGMX_MPI=ON
-DGMX_GPU=ON -DGMX_PREFER_STATIC_LIBS=O
I try to run my MD with command line:
mpirun gmx_mpi -s 7.tpr -reseed 2019 -v -g md.log -gpu_id 0
but it always failed with messages:
-------------------------------------------------------
Program:?0?2?0?2?0?2?0?2 gmx mdrun, version 2019.3
Source file: src/gromacs/mdrun/runner.cpp (line 531)
Fatal error:
You limited the set of compatible GPUs to a set that included ID #0, but
that
ID is not for a compatible GPU. List only compatible GPUs.
For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors
-------------------------------------------------------
I used command line: nvidia-smi to check my GPU, it looks normal:
+-----------------------------------------------------------------------------+
| NVIDIA-SMI 440.31?0?2?0?2?0?2?0?2?0?2?0?2 Driver Version: 440.31?0?2?0?2?0?2?0?2?0?2?0?2 CUDA Version:
10.2?0?2?0?2?0?2?0?2 |
|-------------------------------+----------------------+----------------------+
| GPU?0?2 Name?0?2?0?2?0?2?0?2?0?2?0?2?0?2 Persistence-M| Bus-Id?0?2?0?2?0?2?0?2?0?2?0?2?0?2 Disp.A | Volatile
Uncorr. ECC |
| Fan?0?2 Temp?0?2 Perf?0?2 Pwr:Usage/Cap|?0?2?0?2?0?2?0?2?0?2?0?2?0?2?0?2 Memory-Usage | GPU-Util
Compute M. |
|===============================+======================+======================|
|?0?2?0?2 0?0?2 GeForce RTX 208...?0?2 Off?0?2 | 00000000:1B:00.0 Off
|?0?2?0?2?0?2?0?2?0?2?0?2?0?2?0?2?0?2?0?2?0?2?0?2?0?2?0?2?0?2?0?2?0?2 N/A |
| 27%?0?2?0?2 38C?0?2?0?2?0?2 P0?0?2?0?2?0?2 43W / 250W |?0?2?0?2?0?2?0?2?0?2
0MiB / 11019MiB | 0%?0?2?0?2?0?2?0?2?0?2 Default |
+-------------------------------+----------------------+----------------------+
|?0?2?0?2 1?0?2 GeForce RTX 208...?0?2 Off?0?2 | 00000000:1C:00.0 Off
|?0?2?0?2?0?2?0?2?0?2?0?2?0?2?0?2?0?2?0?2?0?2?0?2?0?2?0?2?0?2?0?2?0?2 N/A |
| 26%?0?2?0?2 37C?0?2?0?2?0?2 P0?0?2?0?2?0?2 59W / 250W |?0?2?0?2?0?2?0?2?0?2
0MiB / 11019MiB | 0%?0?2?0?2?0?2?0?2?0?2 Default |
+-------------------------------+----------------------+----------------------+
+-----------------------------------------------------------------------------+
| Processes: GPU Memory |
|?0?2 GPU?0?2?0?2?0?2?0?2?0?2?0?2 PID?0?2?0?2 Type?0?2?0?2 Process name
Usage?0?2?0?2?0?2?0?2?0?2 |
|=============================================================================|
|?0?2 No running processes
found?0?2?0?2?0?2?0?2?0?2?0?2?0?2?0?2?0?2?0?2?0?2?0?2?0?2?0?2?0?2?0?2?0?2?0?2?0?2?0?2?0?2?0?2?0?2?0?2?0?2?0?2?0?2?0?2?0?2?0?2?0?2?0?2?0?2?0?2?0?2?0?2?0?2?0?2?0?2?0?2?0?2?0?2?0?2?0?2?0?2?0?2?0?2?0?2 |
+-----------------------------------------------------------------------------+
thanks a lot
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