GROMACS version: 2019.6
GROMACS modification: No
Hi gromacs users, I tried to install gromacs 2019.6 on a machine with 3 teslas C2075 and 12 cpus. I tried to install it with new fft3.8 (installed on home user) and cuda 7.0 and 8.0 (I have no access to root account). The instructions that I used were:
CC=gcc CXX=g++ …/cmake-3.18.2/bin/cmake …/gromacs-2019.6 -DGMX_GPU=ON -DCMAKE_INSTALL_PREFIX=/home/user/software/gromacs_2019_6b -DCUDA_TOOLKIT_ROOT_DIR=/usr/local/cuda-8.0/ -DCMAKE_PREFIX_PATH=/home/user/software/fftw38/
it compiles but when I tried to run it with:
gmx mdrun -nb gpu -gpu_id 0 -v -deffnm file.tpr
I got the following message:
%%%%%%%%%%%%%%%
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.
%%%%%%%%%%%%%%%
If I run nvidia-smi, got the following:
%%%%%%%%%%%%%%%
nvidia-smi
Fri Sep 18 10:20:27 2020
±----------------------------------------------------------------------------+
| NVIDIA-SMI 384.66 Driver Version: 384.66 |
|-------------------------------±---------------------±---------------------+
| GPU Name Persistence-M| Bus-Id Disp.A | Volatile Uncorr. ECC |
| Fan Temp Perf Pwr:Usage/Cap| Memory-Usage | GPU-Util Compute M. |
|===============================+======================+======================|
| 0 Tesla C2075 Off | 00000000:02:00.0 Off | 0 |
| 30% 60C P0 77W / N/A | 0MiB / 5301MiB | 0% Default |
±------------------------------±---------------------±---------------------+
| 1 Tesla C2075 Off | 00000000:03:00.0 Off | 0 |
| 30% 61C P0 80W / N/A | 0MiB / 5301MiB | 0% Default |
±------------------------------±---------------------±---------------------+
| 2 Tesla C2075 Off | 00000000:83:00.0 Off | 0 |
| 30% 51C P0 82W / N/A | 0MiB / 5301MiB | 0% Default |
±------------------------------±---------------------±---------------------+
±----------------------------------------------------------------------------+
| Processes: GPU Memory |
| GPU PID Type Process name Usage |
|=============================================================================|
| No running processes found |
±----------------------------------------------------------------------------+
%%%%%%%%%%%%%%%
and on the log file I found these lines:
%%%%%%%%%%%%%%%
#0: NVIDIA Tesla C2075, compute cap.: 2.0, ECC: yes, stat: incompatible
#1: NVIDIA Tesla C2075, compute cap.: 2.0, ECC: yes, stat: incompatible
#2: NVIDIA Tesla C2075, compute cap.: 2.0, ECC: yes, stat: incompatible
%%%%%%%%%%%%%%%
Do you have any clue about how to fix this?
Thank you so much.
Best