# Gromcas can't detect my gpu

**URL:** <https://gromacs.bioexcel.eu/t/gromcas-cant-detect-my-gpu/5088>\
**Category:** User discussions\
**Created:** [October 22, 2022, 11:52am UTC](https://gromacs.bioexcel.eu/t/gromcas-cant-detect-my-gpu/5088 "2022-10-22T11:52:38Z")\
**Posts on this page:** 4\
**Page:** 1

<div class="post-metadata">

**Author:** ![icaspell](https://avatars.discourse-cdn.com/v4/letter/i/5daacb/32.png) [@icaspell](https://gromacs.bioexcel.eu/u/icaspell)\
**Post date:** [October 22, 2022, 11:52am UTC](https://gromacs.bioexcel.eu/t/gromcas-cant-detect-my-gpu/5088/1 "2022-10-22T11:52:38Z")

</div>

GROMACS version: 2022.3  
GROMACS modification: No

I managed to build gromacs with opencl support however when testing -nb gpu it outputs the following :

Cannot run short-ranged nonbonded interactions on a GPU because no GPU is  
detected

GPU model : Rx 6650 xt

```auto
GROMACS: gmx mdrun, version 2022.3
Executable: /usr/local/gromacs/bin/gmx
Data prefix: /usr/local/gromacs
Working dir: /media/icaspell/F8FCADECFCADA57A/MD sim/charmm-gui-6519908929/gromacs
Process ID: 14346
Command line:
  gmx mdrun -v -deffnm step4.1_equilibration -nb gpu

GROMACS version: 2022.3
Precision: mixed
Memory model: 64 bit
MPI library: thread_mpi
OpenMP support: enabled (GMX_OPENMP_MAX_THREADS = 128)
GPU support: OpenCL
SIMD instructions: AVX2_256
CPU FFT library: fftw-3.3.8-sse2-avx-avx2-avx2_128
GPU FFT library: clFFT
RDTSCP usage: enabled
TNG support: enabled
Hwloc support: disabled
Tracing support: disabled
C compiler: /usr/bin/cc GNU 9.4.0
C compiler flags: -mavx2 -mfma -Wno-missing-field-initializers -fexcess-precision=fast -funroll-all-loops -O3 -DNDEBUG
C++ compiler: /usr/bin/c++ GNU 9.4.0
C++ compiler flags: -mavx2 -mfma -Wno-missing-field-initializers -fexcess-precision=fast -funroll-all-loops -fopenmp -O3 -DNDEBUG
OpenCL include dir: /usr/include
OpenCL library: /usr/lib/x86_64-linux-gnu/libOpenCL.so
OpenCL version: 2.2

```

some helpful data

```auto
clinfo
Number of platforms 1
  Platform Name Clover
  Platform Vendor Mesa
  Platform Version OpenCL 1.1 Mesa 21.2.6
  Platform Profile FULL_PROFILE
  Platform Extensions cl_khr_icd
  Platform Extensions function suffix MESA

  Platform Name Clover
Number of devices 0

NULL platform behavior
  clGetPlatformInfo(NULL, CL_PLATFORM_NAME, ...) Clover
  clGetDeviceIDs(NULL, CL_DEVICE_TYPE_ALL, ...)   
  clCreateContext(NULL, ...) [default] No devices found in platform
  clCreateContextFromType(NULL, CL_DEVICE_TYPE_DEFAULT) No devices found in platform
  clCreateContextFromType(NULL, CL_DEVICE_TYPE_CPU) No devices found in platform
  clCreateContextFromType(NULL, CL_DEVICE_TYPE_GPU) No devices found in platform
  clCreateContextFromType(NULL, CL_DEVICE_TYPE_ACCELERATOR) No devices found in platform
  clCreateContextFromType(NULL, CL_DEVICE_TYPE_CUSTOM) No devices found in platform
  clCreateContextFromType(NULL, CL_DEVICE_TYPE_ALL) No devices found in platform

ICD loader properties
  ICD loader Name OpenCL ICD Loader
  ICD loader Vendor OCL Icd free software
  ICD loader Version 2.2.11
  ICD loader Profile OpenCL 2.1

```

```auto
neofetch
            .-/+oossssoo+/-. icaspell@icaspell-B450M-S2H-V2 
        `:+ssssssssssssssssss+:` ------------------------------ 
      -+ssssssssssssssssssyyssss+- OS: Ubuntu 20.04.5 LTS x86_64 
    .ossssssssssssssssssdMMMNysssso. Host: B450M S2H V2 
   /ssssssssssshdmmNNmmyNMMMMhssssss/ Kernel: 6.0.3-060003-generic 
  +ssssssssshmydMMMMMMMNddddyssssssss+ Uptime: 1 hour, 7 mins 
 /sssssssshNMMMyhhyyyyhmNMMMNhssssssss/ Packages: 1757 (dpkg), 4 (snap) 
.ssssssssdMMMNhsssssssssshNMMMdssssssss. Shell: bash 5.0.17 
+sssshhhyNMMNyssssssssssssyNMMMysssssss+ Resolution: 1024x768 
ossyNMMMNyMMhsssssssssssssshmmmhssssssso DE: Xfce 
ossyNMMMNyMMhsssssssssssssshmmmhssssssso WM: Xfwm4 
+sssshhhyNMMNyssssssssssssyNMMMysssssss+ WM Theme: Greybird 
.ssssssssdMMMNhsssssssssshNMMMdssssssss. Theme: Greybird [GTK2/3] 
 /sssssssshNMMMyhhyyyyhdNMMMNhssssssss/ Icons: elementary-xfce-darker [GTK2/ 
  +sssssssssdmydMMMMMMMMddddyssssssss+ Terminal: xfce4-terminal 
   /ssssssssssshdmNNNNmyNMMMMhssssss/ Terminal Font: Monospace 12 
    .ossssssssssssssssssdMMMNysssso. CPU: AMD Ryzen 5 PRO 4650G with Rade 
      -+sssssssssssssssssyyyssss+- GPU: AMD ATI 03:00.0 Device 73ef 
        `:+ssssssssssssssssss+:` Memory: 1496MiB / 15864MiB 

```

---

<div class="post-metadata">

**Author:** ![pszilard](https://dub1.discourse-cdn.com/flex017/user_avatar/gromacs.bioexcel.eu/pszilard/32/21_2.png) [@pszilard](https://gromacs.bioexcel.eu/u/pszilard)\
**Post date:** [October 22, 2022, 1:32pm UTC](https://gromacs.bioexcel.eu/t/gromcas-cant-detect-my-gpu/5088/2 "2022-10-22T13:32:56Z")

</div>

Hi,

AMD Navi is not supported, so that won’t work with current releases. Your Ryzen 6 PRO has an on-board graphics, that might work as it is an older GCN-based architecture, I think.

> [@icaspell](#):
>
> ```auto
> clinfo
> Number of platforms 1
> Platform Name Clover
> Platform Vendor Mesa
> Platform Version OpenCL 1.1 Mesa 21.2.6
> Platform Profile FULL_PROFILE
> Platform Extensions cl_khr_icd
> Platform Extensions function suffix MESA
> 
> Platform Name Clover
> Number of devices 0
> 
> ```

Side-note: the above indicates that your GPU is not detected as an OpenCL device either.

## Cheers

Szilárd

---

<div class="post-metadata">

**Author:** ![icaspell](https://avatars.discourse-cdn.com/v4/letter/i/5daacb/32.png) [@icaspell](https://gromacs.bioexcel.eu/u/icaspell)\
**Post date:** [October 22, 2022, 2:12pm UTC](https://gromacs.bioexcel.eu/t/gromcas-cant-detect-my-gpu/5088/3 "2022-10-22T14:12:21Z")

</div>

Thank you for your rapid response, do I need to rebuild gromacs to use igpu or i can just restart my PC with the integrated gpu and gromacs would pickup it up.  
I also restarted and clinfo now report more data

```auto
clinfo
Number of platforms 1
  Platform Name Clover
  Platform Vendor Mesa
  Platform Version OpenCL 1.1 Mesa 21.2.6
  Platform Profile FULL_PROFILE
  Platform Extensions cl_khr_icd
  Platform Extensions function suffix MESA

  Platform Name Clover
Number of devices 1
  Device Name AMD DIMGREY_CAVEFISH (DRM 3.48.0, 6.0.3-060003-generic, LLVM 12.0.0)
  Device Vendor AMD
  Device Vendor ID 0x1002
  Device Version OpenCL 1.1 Mesa 21.2.6
  Driver Version 21.2.6
  Device OpenCL C Version OpenCL C 1.1 
  Device Type GPU
  Device Profile FULL_PROFILE
  Device Available Yes
  Compiler Available Yes
  Max compute units 32
  Max clock frequency 2765MHz
  Max work item dimensions 3
  Max work item sizes 256x256x256
  Max work group size 256
=== CL_PROGRAM_BUILD_LOG ===
fatal error: cannot open file '/usr/local//usr/lib/clc/gfx1030-amdgcn-mesa-mesa3d.bc': No such file or directory
  Preferred work group size multiple <getWGsizes:1200: create kernel : error -46>
  Preferred / native vector sizes                 
    char 16 / 16      
    short 8 / 8       
    int 4 / 4       
    long 2 / 2       
    half 0 / 0 (n/a)
    float 4 / 4       
    double 2 / 2 (cl_khr_fp64)
  Half-precision Floating-point support (n/a)
  Single-precision Floating-point support (core)
    Denormals No
    Infinity and NANs Yes
    Round to nearest Yes
    Round to zero No
    Round to infinity No
    IEEE754-2008 fused multiply-add No
    Support is emulated in software No
    Correctly-rounded divide and sqrt operations No
  Double-precision Floating-point support (cl_khr_fp64)
    Denormals Yes
    Infinity and NANs Yes
    Round to nearest Yes
    Round to zero Yes
    Round to infinity Yes
    IEEE754-2008 fused multiply-add Yes
    Support is emulated in software No
  Address bits 64, Little-Endian
  Global memory size 8589934592 (8GiB)
  Error Correction support No
  Max memory allocation 6871947673 (6.4GiB)
  Unified memory for Host and Device No
  Minimum alignment for any data type 128 bytes
  Alignment of base address 32768 bits (4096 bytes)
  Global Memory cache type None
  Image support No
  Local memory type Local
  Local memory size 32768 (32KiB)
  Max number of constant args 16
  Max constant buffer size 67108864 (64MiB)
  Max size of kernel argument 1024
  Queue properties                                
    Out-of-order execution No
    Profiling Yes
  Profiling timer resolution 0ns
  Execution capabilities                          
    Run OpenCL kernels Yes
    Run native kernels No
  Device Extensions cl_khr_byte_addressable_store cl_khr_global_int32_base_atomics cl_khr_global_int32_extended_atomics cl_khr_local_int32_base_atomics cl_khr_local_int32_extended_atomics cl_khr_int64_base_atomics cl_khr_int64_extended_atomics cl_khr_fp64 cl_khr_extended_versioning

NULL platform behavior
  clGetPlatformInfo(NULL, CL_PLATFORM_NAME, ...) Clover
  clGetDeviceIDs(NULL, CL_DEVICE_TYPE_ALL, ...) Success [MESA]
  clCreateContext(NULL, ...) [default] Success [MESA]
  clCreateContextFromType(NULL, CL_DEVICE_TYPE_DEFAULT) Success (1)
    Platform Name Clover
    Device Name AMD DIMGREY_CAVEFISH (DRM 3.48.0, 6.0.3-060003-generic, LLVM 12.0.0)
  clCreateContextFromType(NULL, CL_DEVICE_TYPE_CPU) No devices found in platform
  clCreateContextFromType(NULL, CL_DEVICE_TYPE_GPU) Success (1)
    Platform Name Clover
    Device Name AMD DIMGREY_CAVEFISH (DRM 3.48.0, 6.0.3-060003-generic, LLVM 12.0.0)
  clCreateContextFromType(NULL, CL_DEVICE_TYPE_ACCELERATOR) No devices found in platform
  clCreateContextFromType(NULL, CL_DEVICE_TYPE_CUSTOM) No devices found in platform
  clCreateContextFromType(NULL, CL_DEVICE_TYPE_ALL) Success (1)
    Platform Name Clover
    Device Name AMD DIMGREY_CAVEFISH (DRM 3.48.0, 6.0.3-060003-generic, LLVM 12.0.0)

ICD loader properties
  ICD loader Name OpenCL ICD Loader
  ICD loader Vendor OCL Icd free software
  ICD loader Version 2.2.11
  ICD loader Profile OpenCL 2.1

```

---

<div class="post-metadata">

**Author:** ![pszilard](https://dub1.discourse-cdn.com/flex017/user_avatar/gromacs.bioexcel.eu/pszilard/32/21_2.png) [@pszilard](https://gromacs.bioexcel.eu/u/pszilard)\
**Post date:** [October 24, 2022, 11:56am UTC](https://gromacs.bioexcel.eu/t/gromcas-cant-detect-my-gpu/5088/4 "2022-10-24T11:56:44Z")

</div>

You don’t need to recompile GROMACS, OpenCL kernels are anyway compiled at runtime (JIT compiled). However, there is a good chance that the OpenCL Mesa Clover you have installed won’t work well. I suggest installing the ROCm or amdgpu-pro stack.
