# Ubuntu package built with GPU support does not work

**URL:** <https://gromacs.bioexcel.eu/t/ubuntu-package-built-with-gpu-support-does-not-work/1862>\
**Category:** User discussions\
**Created:** [March 30, 2021, 12:12pm UTC](https://gromacs.bioexcel.eu/t/ubuntu-package-built-with-gpu-support-does-not-work/1862 "2021-03-30T12:12:01Z")\
**Posts on this page:** 3\
**Page:** 1

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**Author:** ![hgkrug1](https://dub1.discourse-cdn.com/flex017/user_avatar/gromacs.bioexcel.eu/hgkrug1/32/726_2.png) [@hgkrug1](https://gromacs.bioexcel.eu/u/hgkrug1)\
**Post date:** [March 30, 2021, 12:12pm UTC](https://gromacs.bioexcel.eu/t/ubuntu-package-built-with-gpu-support-does-not-work/1862/1 "2021-03-30T12:12:01Z")

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GROMACS version: 2020.1-Ubuntu-2020.1-1  
GROMACS modification: Yes/No (not sure?)

I have installed Gromacs using the Ubuntu (20.04) Synaptic Package Manager. That is supposed to install the correct dependencies. I chose all the options: gromacs, gromacs-data, gromacs-mpich, gromacs-openmpi, libgromacs-dev, libgromacs5, libjgromacs-java.

Before I have installed the software, I made sure that my Nvidia GPU card (GeForce GT 1030) is active and that is is 100% used with a GPU test.

I have Cuda V10.1.243 installed.

When I run $ gmx pdb2gmx --version  
I get the following output:  
:-) GROMACS - gmx pdb2gmx, 2020.1-Ubuntu-2020.1-1 (-:  
GROMACS: gmx pdb2gmx, version 2020.1-Ubuntu-2020.1-1  
Executable: /usr/bin/gmx  
Data prefix: /usr  
Working dir: /home/gert  
Command line:  
gmx pdb2gmx --version

GROMACS version: 2020.1-Ubuntu-2020.1-1  
Precision: single  
Memory model: 64 bit  
MPI library: thread\_mpi  
OpenMP support: enabled (GMX\_OPENMP\_MAX\_THREADS = 64)  
GPU support: disabled  
SIMD instructions: SSE2  
FFT library: fftw-3.3.8-sse2-avx  
RDTSCP usage: disabled  
TNG support: enabled  
Hwloc support: hwloc-2.1.0  
Tracing support: disabled  
C compiler: /usr/bin/cc GNU 9.3.0  
C compiler flags: -msse2 -fexcess-precision=fast -funroll-all-loops  
C++ compiler: /usr/bin/c++ GNU 9.3.0  
C++ compiler flags: -msse2 -fexcess-precision=fast -funroll-all-loops -fopenmp

As you can see, the GPU support is disabled?

Any hint on how to fix that?  
Thanks a lot and best wishes  
Gert Kruger

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<div class="post-metadata">

**Author:** ![jalemkul](https://dub1.discourse-cdn.com/flex017/user_avatar/gromacs.bioexcel.eu/jalemkul/32/18_2.png) [@jalemkul](https://gromacs.bioexcel.eu/u/jalemkul)\
**Post date:** [March 30, 2021, 1:13pm UTC](https://gromacs.bioexcel.eu/t/ubuntu-package-built-with-gpu-support-does-not-work/1862/2 "2021-03-30T13:13:47Z")

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Binaries distributed by package managers attempt to be universal, and since they are pre-compiled, they have no ability to make use of specific hardware or software optimizations on your computer. Install from source, not from package managers.

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<div class="post-metadata">

**Author:** ![hgkrug1](https://dub1.discourse-cdn.com/flex017/user_avatar/gromacs.bioexcel.eu/hgkrug1/32/726_2.png) [@hgkrug1](https://gromacs.bioexcel.eu/u/hgkrug1)\
**Post date:** [March 31, 2021, 10:28am UTC](https://gromacs.bioexcel.eu/t/ubuntu-package-built-with-gpu-support-does-not-work/1862/3 "2021-03-31T10:28:26Z")

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Thanks! I was hoping one could easily fix that. Will do!