# Compiling error fir GROMACS 2023.1 with GPU CUDA at libcudart.so.11.0 **URL:** \ **Category:** User discussions\ **Tags:** gpu, installation-error\ **Created:** [June 14, 2023, 9:30pm UTC](https://gromacs.bioexcel.eu/t/compiling-error-fir-gromacs-2023-1-with-gpu-cuda-at-libcudart-so-11-0/6606 "2023-06-14T21:30:17Z")\ **Posts on this page:** 7\ **Page:** 1
**Author:** ![thepal3232](https://avatars.discourse-cdn.com/v4/letter/t/34f0e0/32.png) [@thepal3232](https://gromacs.bioexcel.eu/u/thepal3232)\ **Post date:** [June 14, 2023, 9:30pm UTC](https://gromacs.bioexcel.eu/t/compiling-error-fir-gromacs-2023-1-with-gpu-cuda-at-libcudart-so-11-0/6606/1 "2023-06-14T21:30:17Z")
GROMACS version: 2023.1 GROMACS modification: No I am trying to compile Gromacs on a computer with NVIDIA GeForce RTX 3090 (sm86), and there is always an error towards the end of make, even though cmake passes successfully! The current error I have is at the bottom, and is related to “/home/pablo/miniconda3/bin/../lib/gcc/x86\_64-conda-linux-gnu/11.4.0/../../../../x86\_64-conda-linux-gnu/bin/ld: /home/pablo/miniconda3/lib/libcudart.so.11.0: undefined reference to `memcpy@GLIBC\_2.14’”. If I compile without GPU support, I am able to make a fully functional gmx executable * * * current versions: > Blockquote > (base) pablo@dl:~/repos/gromacs-2023.1/build$ lsb\_release -a > No LSB modules are available. > Distributor ID: Ubuntu > Description: Ubuntu 20.04 LTS > Release: 20.04 > Codename: focal > Blockquote > (base) pablo@dl:~/repos/gromacs-2023.1/build$ gcc --version; g++ --version > gcc (conda-forge gcc 11.4.0-0) 11.4.0 > Copyright (C) 2021 Free Software Foundation, Inc. > This is free software; see the source for copying conditions. There is NO > warranty; not even for MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. > g++ (conda-forge gcc 11.4.0-0) 11.4.0 > Copyright (C) 2021 Free Software Foundation, Inc. > This is free software; see the source for copying conditions. There is NO > warranty; not even for MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. > Blockquote > (base) pablo@dl:~/repos/gromacs-2023.1/build$ conda --version > conda 23.5.0 > (base) pablo@dl:~/repos/gromacs-2023.1/build$ nvcc --version > nvcc: NVIDIA (R) Cuda compiler driver > Copyright (c) 2005-2022 NVIDIA Corporation > Built on Wed\_Sep\_21\_10:33:58\_PDT\_2022 > Cuda compilation tools, release 11.8, V11.8.89 > Build cuda\_11.8.r11.8/compiler.31833905\_0 > (base) pablo@dl:~/repos/gromacs-2023.1/build$ cmake --version > cmake version 3.26.4 > CMake suite maintained and supported by Kitware ([kitware.com/cmake](http://kitware.com/cmake)). > Blockquote > (base) pablo@dl:~/repos/gromacs-2023.1/build$ ls /home/pablo/miniconda3/lib/libcufft.so.10 > **/home/pablo/miniconda3/lib/libcufft.so.10** > (base) pablo@dl:~/repos/gromacs-2023.1/build$ ls /home/pablo/miniconda3/lib/libcudart.so.11.0 > **/home/pablo/miniconda3/lib/libcudart.so.11.0** * * * ## full story: I tried running: ` **cmake**.. -DGMX_BUILD_OWN_FFTW=ON -DREGRESSIONTEST_DOWNLOAD=ON -DGMX_EXTERNAL_BLAS=OFF -DGMX_EXTERNAL_LAPACK=OFF -DGMX_GPU=CUDA -DCMAKE_INSTALL_PREFIX=/home/pablo/repos/gromacs_tar -DGMX_CUDA_TARGET_SM="86" -DCMAKE_CUDA_COMPILER=/usr/local/cuda/bin/nvcc` and got **libcudart.so.11.0 not found** when building: > Blockquote > [96%] Linking CXX executable ../../../bin/argon-forces-integration > /home/pablo/miniconda3/bin/../lib/gcc/x86\_64-conda-linux-gnu/11.4.0/../../../../x86\_64-conda-linux-gnu/bin/ld: warning: libcudart.so.11.0, needed by ../../../lib/libnblib\_gmx.so.0.1.0, not found (try using -rpath or -rpath-link) > /home/pablo/miniconda3/bin/../lib/gcc/x86\_64-conda-linux-gnu/11.4.0/../../../../x86\_64-conda-linux-gnu/bin/ld: warning: libcufft.so.10, needed by /home/pablo/repos/gromacs-2023.1/build/lib/libgromacs.so.8, not found (try using -rpath or -rpath-link) > /home/pablo/miniconda3/bin/../lib/gcc/x86\_64-conda-linux-gnu/11.4.0/../../../../x86\_64-conda-linux-gnu/bin/ld: /home/pablo/repos/gromacs-2023.1/build/lib/libgromacs.so.8: undefined reference to `cufftSetStream@libcufft.so.10' /home/pablo/miniconda3/bin/../lib/gcc/x86_64-conda-linux-gnu/11.4.0/../../../../x86_64-conda-linux-gnu/bin/ld: /home/pablo/repos/gromacs-2023.1/build/lib/libgromacs.so.8: undefined reference to `cufftExecR2C@libcufft.so.10’ > /home/pablo/miniconda3/bin/../lib/gcc/x86\_64-conda-linux-gnu/11.4.0/../../../../x86\_64-conda-linux-gnu/bin/ld: /home/pablo/repos/gromacs-2023.1/build/lib/libgromacs.so.8: undefined reference to `cufftExecC2R@libcufft.so.10' /home/pablo/miniconda3/bin/../lib/gcc/x86_64-conda-linux-gnu/11.4.0/../../../../x86_64-conda-linux-gnu/bin/ld: /home/pablo/repos/gromacs-2023.1/build/lib/libgromacs.so.8: undefined reference to `cufftDestroy@libcufft.so.10’ > /home/pablo/miniconda3/bin/../lib/gcc/x86\_64-conda-linux-gnu/11.4.0/../../../../x86\_64-conda-linux-gnu/bin/ld: /home/pablo/repos/gromacs-2023.1/build/lib/libgromacs.so.8: undefined reference to `cufftPlanMany@libcufft.so.10’ > collect2: error: ld returned 1 exit status > make[2]: \*\*\* [api/nblib/samples/CMakeFiles/argon-forces-integration.dir/build.make:100: bin/argon-forces-integration] Error 1 > make[1]: \*\*\* [CMakeFiles/Makefile2:3764: api/nblib/samples/CMakeFiles/argon-forces-integration.dir/all] Error 2 > make: \*\*\* [Makefile:166: all] Error 2 So then I conda installed that and libcufft.so.10 with: ```auto - conda install -c anaconda cudatoolkit=11.8 - `conda install -c "nvidia/label/cuda-11.8.0" libcufft` ``` after Installing, I did `export LD_LIBRARY_PATH=/home/pablo/miniconda3/lib`, and reran cmake .. -DGMX\_BUILD\_OWN\_FFTW=ON -DREGRESSIONTEST\_DOWNLOAD=ON -DGMX\_EXTERNAL\_BLAS=OFF -DGMX\_EXTERNAL\_LAPACK=OFF -DGMX\_GPU=CUDA -DCMAKE\_INSTALL\_PREFIX=/home/pablo/repos/gromacs\_tar -DGMX\_CUDA\_TARGET\_SM=“86” -DCMAKE\_CUDA\_COMPILER=/usr/local/cuda/bin/nvcc but am now getting: > Blockquote > [96%] **Linking CXX executable ../../../bin/argon-forces-integration** > /home/pablo/miniconda3/bin/../lib/gcc/x86\_64-conda-linux-gnu/11.4.0/../../../../x86\_64-conda-linux-gnu/bin/ld: /home/pablo/miniconda3/lib/libcudart.so.11.0: undefined reference to `memcpy@GLIBC_2.14' /home/pablo/miniconda3/bin/../lib/gcc/x86_64-conda-linux-gnu/11.4.0/../../../../x86_64-conda-linux-gnu/bin/ld: /home/pablo/miniconda3/lib/libcudart.so.11.0: undefined reference to `clock\_gettime@GLIBC\_2.17’ > collect2: error: ld returned 1 exit status > make[2]: \*\*\* [api/nblib/samples/CMakeFiles/argon-forces-integration.dir/build.make:100: bin/argon-forces-integration] Error 1 > make[1]: \*\*\* [CMakeFiles/Makefile2:3764: api/nblib/samples/CMakeFiles/argon-forces-integration.dir/all] Error 2 > make: \*\*\* [Makefile:166: all] Error 2 Could someone please help me fix this error because it seems inside of libcudart.so.11.0?? Thank you!! ---
**Author:** ![ebriand](https://dub1.discourse-cdn.com/flex017/user_avatar/gromacs.bioexcel.eu/ebriand/32/2314_2.png) [@ebriand](https://gromacs.bioexcel.eu/u/ebriand)\ **Post date:** [June 15, 2023, 8:05am UTC](https://gromacs.bioexcel.eu/t/compiling-error-fir-gromacs-2023-1-with-gpu-cuda-at-libcudart-so-11-0/6606/2 "2023-06-15T08:05:55Z")
You are mixing your system install of CUDA (`/usr/local/cuda/bin/nvcc`), which uses your system compiler and glibc, with the conda-installed version of the compiler toolchain (`/home/pablo/miniconda3/bin/../lib/gcc/x86_64-conda-linux-gnu/11.4.0/../../../../x86_64-conda-linux-gnu/bin/ld`), with a different glibc version (hence the `*@GLIBC_2.17`). As it happen, the `clock_gettime` symbol has changed from `librt` to `libc` around that version, hence the missing symbol. I would suggest choosing either one or the other, and setting the following flags to clear possible mix-ups. Something like this for local install: -DCUDA\_TOOLKIT\_ROOT\_DIR=/usr/local/cuda-11.1/ -DCMAKE\_CUDA\_COMPILER=/usr/local/cuda-11.1/bin/nvcc -DCMAKE\_C\_COMPILER=/usr/bin/gcc -DCMAKE\_CXX\_COMPILER=/usr/bin/g++ (you may need to install cufft at the system level) or find where the conda gcc/g++ compiler and CUDA are installed (somehwere in `/home/pablo/miniconda3/`) and use that for the above CMake flags with that. ---
**Author:** ![thepal3232](https://avatars.discourse-cdn.com/v4/letter/t/34f0e0/32.png) [@thepal3232](https://gromacs.bioexcel.eu/u/thepal3232)\ **Post date:** [June 15, 2023, 3:35pm UTC](https://gromacs.bioexcel.eu/t/compiling-error-fir-gromacs-2023-1-with-gpu-cuda-at-libcudart-so-11-0/6606/3 "2023-06-15T15:35:49Z")
Thank you for your prompt reply. When I use the flags with local install paths you mention, I get not as far (93% instead of 96%): > cmake … -DGMX\_BUILD\_OWN\_FFTW=ON -DREGRESSIONTEST\_DOWNLOAD=ON -DGMX\_EXTERNAL\_BLAS=OFF -DGMX\_EXTERNAL\_LAPACK=OFF -DGMX\_GPU=CUDA -DCMAKE\_INSTALL\_PREFIX=/home/pablo/repos/gromacs\_tar -DCUDA\_TOOLKIT\_ROOT\_DIR=/usr/local/cuda-11.8 -DCMAKE\_CUDA\_COMPILER=/usr/local/cuda-11.8/bin/nvcc -DCMAKE\_C\_COMPILER=/usr/bin/gcc -DCMAKE\_CXX\_COMPILER=/usr/bin/g++ > [93%] Linking CXX shared library …/…/lib/libgromacs.so > /usr/bin/ld: cannot find /lib64/libpthread.so.0 > /usr/bin/ld: cannot find /usr/lib64/libpthread\_nonshared.a > collect2: error: ld returned 1 exit status > make[2]: \*\*\* [src/gromacs/CMakeFiles/libgromacs.dir/build.make:13519: lib/libgromacs.so.9.0.0] Error 1 > make[1]: \*\*\* [CMakeFiles/Makefile2:4236: src/gromacs/CMakeFiles/libgromacs.dir/all] Error 2 > make: \*\*\* [Makefile:166: all] Error 2 and when I try to see what is inside of the /lib64/ library. I do not see the `libpthread_nonshared.a` ANYWHERE. For the `libpthread.so.0` file, I found it in `/lib/x86_64-linux-gnu/libpthread.so.0`. Do I have to install something? Would you know how to change the path to this? or would I have to ask an admin on my computer to make a symlink at `/lib64/libpthread.so.0` that points to the path in the previous sentence? Would the `-DCMAKE_PREFIX_PATH` be able to help somehow? > (base) pablo@dl:~/repos/gromacs\_gpu/build$ ls /lib64/ > **ld-linux-x86-64.so.2** > (base) pablo@dl:~/repos/gromacs\_gpu/build$ ls /usr/lib64 > **ld-linux-x86-64.so.2** > `(base) pablo@dl:~/repos/gromacs_gpu/build$ ls /usr/*/*libpthread*` > **/usr/lib32/libpthread-2.31.so** **/usr/lib32/libpthread.so.0** > `(base) pablo@dl:~/repos/gromacs_gpu/build$ ls /usr/*/*/*libpthread*` > **/usr/lib/i386-linux-gnu/libpthread-2.31.so** > **/usr/lib/x86\_64-linux-gnu/libpthread-2.31.so** > **/usr/lib/x86\_64-linux-gnu/libpthread.so** > **/usr/lib/i386-linux-gnu/libpthread.so.0** > /usr/lib/x86\_64-linux-gnu/libpthread.a > **/usr/lib/x86\_64-linux-gnu/libpthread.so.0** > `(base) pablo@dl:~/repos/gromacs_gpu/build$ ls /lib/*/*libpthread*` > **/lib/i386-linux-gnu/libpthread-2.31.so** > **/lib/x86\_64-linux-gnu/libpthread-2.31.so** > **/lib/x86\_64-linux-gnu/libpthread.so** > **/lib/i386-linux-gnu/libpthread.so.0** > /lib/x86\_64-linux-gnu/libpthread.a > **/lib/x86\_64-linux-gnu/libpthread.so.0** > `(base) pablo@dl:~/repos/gromacs_gpu/build$ ls /lib/*/*/*libpthread*` > `ls: cannot access '/lib/*/*/*libpthread*': No such file or directory` * * * alternatively, when I try to use the conda paths, I get to the same place with the \*@GLIBC\_2.17 error. ---
**Author:** ![ebriand](https://dub1.discourse-cdn.com/flex017/user_avatar/gromacs.bioexcel.eu/ebriand/32/2314_2.png) [@ebriand](https://gromacs.bioexcel.eu/u/ebriand)\ **Post date:** [June 15, 2023, 4:03pm UTC](https://gromacs.bioexcel.eu/t/compiling-error-fir-gromacs-2023-1-with-gpu-cuda-at-libcudart-so-11-0/6606/4 "2023-06-15T16:03:24Z")
Find which pthread you should use: ```auto /sbin/ldconfig -p | grep pthread ``` Quick fix would then be something like: `LDFLAGS=-L/usr/lib/x86_64-linux-gnu/ cmake [...]`, or whichever directory the `pthread.so.0` was contained in, then build as normal. ---
**Author:** ![thepal3232](https://avatars.discourse-cdn.com/v4/letter/t/34f0e0/32.png) [@thepal3232](https://gromacs.bioexcel.eu/u/thepal3232)\ **Post date:** [June 15, 2023, 4:33pm UTC](https://gromacs.bioexcel.eu/t/compiling-error-fir-gromacs-2023-1-with-gpu-cuda-at-libcudart-so-11-0/6606/5 "2023-06-15T16:33:10Z")
The make completed with your suggestions. THANKS! however there were still some errors with make check that I will have to investigate. > (base) pablo@dl:~/repos/gromacs\_gpu/build$ /sbin/ldconfig -p | grep pthread > libpthread.so.0 (libc6,x86-64, OS ABI: Linux 3.2.0) =\> /lib/x86\_64-linux-gnu/libpthread.so.0 > libpthread.so.0 (libc6, OS ABI: Linux 3.2.0) =\> /lib/i386-linux-gnu/libpthread.so.0 > libpthread.so.0 (libc6, OS ABI: Linux 3.2.0) =\> /lib32/libpthread.so.0 > libpthread.so (libc6,x86-64, OS ABI: Linux 3.2.0) =\> /lib/x86\_64-linux-gnu/lib **pthread**.so > LDFLAGS=-L/lib/x86\_64-linux-gnu/ cmake … -DGMX\_BUILD\_OWN\_FFTW=ON -DREGRESSIONTEST\_DOWNLOAD=ON -DGMX\_EXTERNAL\_BLAS=OFF -DGMX\_EXTERNAL\_LAPACK=OFF -DGMX\_GPU=CUDA -DCMAKE\_INSTALL\_PREFIX=/home/pablo/repos/gromacs\_tar -DCUDA\_TOOLKIT\_ROOT\_DIR=/usr/local/cuda-11.8 -DCMAKE\_CUDA\_COMPILER=/usr/local/cuda-11.8/bin/nvcc -DCMAKE\_C\_COMPILER=/usr/bin/gcc -DCMAKE\_CXX\_COMPILER=/usr/bin/g++ > Success! However, the make check failed at a free energy check, which is what I wanted to use GROMACS for. I will find and look at the “checkforce.out” error file and can report back what happens, or I’m not sure if that would have to be on a new card… > 85/87 Test #85: regressiontests/complex …_Failed 62.32 sec > Re-running aminoacids using only CPU-based non-bonded kernels > Re-running awh\_multidim using only CPU-based non-bonded kernels > Re-running awh\_multidim using CPU-based update > Re-running butane using only CPU-based non-bonded kernels > Re-running dd121 using only CPU-based non-bonded kernels > Re-running distance\_restraints using only CPU-based non-bonded kernels > Re-running distance\_restraints using CPU-based update > Re-running ethyleenglycol using only CPU-based non-bonded kernels > Re-running field using only CPU-based non-bonded kernels > FAILED. Check checkforce.out (1 errors) file(s) in nacl for nacl > Re-running nacl using only CPU-based non-bonded kernels > Re-running nacl using CPU-based update > Re-running nbnxn-free-energy using only CPU-based non-bonded kernels > […] > 1 out of 99 complex tests FAILED > Start 86: regressiontests/freeenergy > 86/87 Test #86: regressiontests/freeenergy … Passed 24.34 sec > Start 87: regressiontests/essentialdynamics > 87/87 Test #87: regressiontests/essentialdynamics … Passed 4.84 sec > 99% tests passed, 1 tests failed out of 87 > Label Time Summary: > GTest = 108.63 secproc (82 tests) > IntegrationTest = 45.07 secproc (26 tests) > MpiTest = 75.37 sec_proc (19 tests) > QuickGpuTest = 17.65 sec_proc (18 tests) > SlowGpuTest = 176.63 sec_proc (17 tests) > SlowTest = 60.73 sec_proc (13 tests) > UnitTest = 2.83 sec_proc (43 tests) > Total Test time (real) = 200.19 sec > The following tests FAILED: > 85 - regressiontests/complex (Failed) > Errors while running CTest > make[3]: \*\*\* [CMakeFiles/run-ctest-nophys.dir/build.make:71: CMakeFiles/run-ctest-nophys] Error 8 > make[2]: \*\*\* [CMakeFiles/Makefile2:3271: CMakeFiles/run-ctest-nophys.dir/all] Error 2 > make[1]: \*\*\* [CMakeFiles/Makefile2:3304: CMakeFiles/check.dir/rule] Error 2 > make: \*\*\* [Makefile:628: check] Error 2 ---
**Author:** ![thepal3232](https://avatars.discourse-cdn.com/v4/letter/t/34f0e0/32.png) [@thepal3232](https://gromacs.bioexcel.eu/u/thepal3232)\ **Post date:** [June 15, 2023, 6:34pm UTC](https://gromacs.bioexcel.eu/t/compiling-error-fir-gromacs-2023-1-with-gpu-cuda-at-libcudart-so-11-0/6606/7 "2023-06-15T18:34:15Z")
Hello! I had forgotten to do the make install! now my gmx --version works well, even though there is that “failed check with nacl”. All the output files in /home/pablo/repos/gromacs\_gpu/build/tests/complex/nacl look correct, so I will just continue to use this gmx executable as long as it keeps working! Thank you for all the help. As I mentioned, I had been trying to compile this for one whole week and your recommendations were extremely clear and helpful! Best. Final cmake: > LDFLAGS=-L/lib/x86\_64-linux-gnu/ cmake … -DGMX\_BUILD\_OWN\_FFTW=ON -DREGRESSIONTEST\_DOWNLOAD=ON -DGMX\_GPU=CUDA -DCMAKE\_INSTALL\_PREFIX=/home/pablo/repos/gromacs\_tar -DCUDA\_TOOLKIT\_ROOT\_DIR=/usr/local/cuda-11.8 -DCMAKE\_CUDA\_COMPILER=/usr/local/cuda-11.8/bin/nvcc -DCMAKE\_C\_COMPILER=/usr/bin/gcc -DCMAKE\_CXX\_COMPILER=/usr/bin/g++ final result: > (base) pablo@dl:~/repos/gromacs\_gpu/build$ gmx --version > :-) GROMACS - gmx, 2024-dev-20230613-db9d71ddbd (-: > Executable: /home/pablo/repos/gromacs\_tar/bin/gmx > Data prefix: /home/pablo/repos/gromacs\_tar > Working dir: /home/pablo/repos/gromacs\_gpu/build > Command line: > gmx --version > GROMACS version: 2024-dev-20230613-db9d71ddbd > GIT SHA1 hash: db9d71ddbd84bd1c81f39a4fae0f8cdc627751ab > Precision: mixed > Memory model: 64 bit > MPI library: thread\_mpi > OpenMP support: enabled (GMX\_OPENMP\_MAX\_THREADS = 128) > GPU support: CUDA > NB cluster size: 8 > SIMD instructions: AVX2\_256 > CPU FFT library: fftw-3.3.8-sse2-avx-avx2-avx2\_128 > GPU FFT library: cuFFT > Multi-GPU FFT: none > RDTSCP usage: enabled > TNG support: enabled > Hwloc support: disabled > Tracing support: disabled > C compiler: /usr/bin/gcc GNU 9.4.0 > C compiler flags: -Wno-array-bounds -fexcess-precision=fast -funroll-all-loops -mavx2 -mfma -Wall -Wno-unused -Wunused-value -Wunused-parameter -Wextra -Wno-sign-compare -Wpointer-arith -Wundef -Werror=stringop-truncation -Wno-missing-field-initializers -O3 -DNDEBUG > C++ compiler: /usr/bin/g++ GNU 9.4.0 > C++ compiler flags: -Wno-array-bounds -fexcess-precision=fast -funroll-all-loops -mavx2 -mfma -Wall -Wextra -Wpointer-arith -Wmissing-declarations -Wundef -Wstringop-truncation -Wno-missing-field-initializers -Wno-cast-function-type-strict -fopenmp -O3 -DNDEBUG > BLAS library: > LAPACK library: > CUDA compiler: /usr/local/cuda-11.8/bin/nvcc nvcc: NVIDIA (R) Cuda compiler driver;Copyright (c) 2005-2022 NVIDIA Corporation;Built on Wed\_Sep\_21\_10:33:58\_PDT\_2022;Cuda compilation tools, release 11.8, V11.8.89;Build cuda\_11.8.r11.8/compiler.31833905\_0 > CUDA compiler flags:-std=c++17;–generate-code=arch=compute\_35,code=sm\_35;–generate-code=arch=compute\_37,code=sm\_37;–generate-code=arch=compute\_50,code=sm\_50;–generate-code=arch=compute\_52,code=sm\_52;–generate-code=arch=compute\_60,code=sm\_60;–generate-code=arch=compute\_61,code=sm\_61;–generate-code=arch=compute\_70,code=sm\_70;–generate-code=arch=compute\_75,code=sm\_75;–generate-code=arch=compute\_80,code=sm\_80;–generate-code=arch=compute\_86,code=sm\_86;–generate-code=arch=compute\_89,code=sm\_89;–generate-code=arch=compute\_90,code=sm\_90;-Wno-deprecated-gpu-targets;–generate-code=arch=compute\_53,code=sm\_53;–generate-code=arch=compute\_80,code=sm\_80;-use\_fast\_math;-Xptxas;-warn-double-usage;-Xptxas;-Werror;-D\_FORCE\_INLINES;-Wno-array-bounds -fexcess-precision=fast -funroll-all-loops -mavx2 -mfma -Wall -Wextra -Wpointer-arith -Wmissing-declarations -Wundef -Wstringop-truncation -Wno-missing-field-initializers -Wno-cast-function-type-strict -fopenmp -O3 -DNDEBUG > CUDA driver: 12.10 > CUDA runtime: 11.80 ---
**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:** [June 26, 2023, 4:17pm UTC](https://gromacs.bioexcel.eu/t/compiling-error-fir-gromacs-2023-1-with-gpu-cuda-at-libcudart-so-11-0/6606/8 "2023-06-26T16:17:19Z")
> [@thepal3232](#): > > :-) GROMACS - gmx, 2024-dev-20230613-db9d71ddbd (-: Note that you are using the (unstable) main branch, you should consider using a stable released version from here [https://manual.gromacs.org/](https://manual.gromacs.org/) (or the most up-to-date stable you can find in the git repository `release-2023` branch). Cheers, Szilárd