# Gromacs compile on Tesla C2075

**URL:** <https://gromacs.bioexcel.eu/t/gromacs-compile-on-tesla-c2075/831>\
**Category:** User discussions\
**Created:** [September 18, 2020, 3:22pm UTC](https://gromacs.bioexcel.eu/t/gromacs-compile-on-tesla-c2075/831 "2020-09-18T15:22:14Z")\
**Posts on this page:** 1\
**Page:** 1

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**Author:** ![pachequin](https://avatars.discourse-cdn.com/v4/letter/p/a183cd/32.png) [@pachequin](https://gromacs.bioexcel.eu/u/pachequin)\
**Post date:** [September 18, 2020, 3:22pm UTC](https://gromacs.bioexcel.eu/t/gromacs-compile-on-tesla-c2075/831/1 "2020-09-18T15:22:14Z")

</div>

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