# \#make-error **URL:** https://gromacs.bioexcel.eu/tag/make-error/43.md [Latest](https://gromacs.bioexcel.eu/latest.md) · [Categories](https://gromacs.bioexcel.eu/categories.md) · [Tags](https://gromacs.bioexcel.eu/tags.md) --- ## [Gromacs installation on Fugaku ARM (A64FX) Node with Fujitsu MPI](https://gromacs.bioexcel.eu/t/gromacs-installation-on-fugaku-arm-a64fx-node-with-fujitsu-mpi/13461)
**Author:** [@noddy](https://gromacs.bioexcel.eu/u/noddy)\ **Replies:** 8\ **Last updated:** [May 19, 2026, 8:24am UTC](https://gromacs.bioexcel.eu/t/gromacs-installation-on-fugaku-arm-a64fx-node-with-fujitsu-mpi/13461 "2026-05-19T08:24:33Z")
Hello everyone, I am trying to build GROMACS from source on Fugaku ARM (A64FX) compute nodes using the Fujitsu compiler and Fujitsu MPI environment available on the system. Current software environment: Architecture… --- ## [Installation error, missing libcufft.so.10](https://gromacs.bioexcel.eu/t/installation-error-missing-libcufft-so-10/8044)
**Author:** [@Poccia](https://gromacs.bioexcel.eu/u/Poccia)\ **Replies:** 2\ **Last updated:** [December 29, 2025, 9:55am UTC](https://gromacs.bioexcel.eu/t/installation-error-missing-libcufft-so-10/8044 "2025-12-29T09:55:26Z")
GROMACS version: 2023.1 GROMACS modification: No I am trying to install Gromacs 2023.1 with CUDA 12.3. After make check, however, I am getting the following error in 10 tests: “error while loading shared libraries: li… --- ## [Make command failing with NVCC 13.0 on GROMACS 2025.2](https://gromacs.bioexcel.eu/t/make-command-failing-with-nvcc-13-0-on-gromacs-2025-2/12514)
**Author:** [@euwing22](https://gromacs.bioexcel.eu/u/euwing22)\ **Replies:** 2\ **Last updated:** [August 9, 2025, 5:13pm UTC](https://gromacs.bioexcel.eu/t/make-command-failing-with-nvcc-13-0-on-gromacs-2025-2/12514 "2025-08-09T17:13:25Z")
GROMACS version: 2025.2 GROMACS modification: No CUDA Version: 13.0 CMake Version: 3.28.3 CMake Command: “cmake .. -DGMX\_BUILD\_OWN\_FFTW=ON -DREGRESSIONTEST\_DOWNLOAD=ON --DGMX\_GPU=CUDA -DCUDA\_TOOLKIT\_ROOT\_DIR=/usr/loc… --- ## [Error C3028 in GROMACS 2025 when building on Windows with CUDA](https://gromacs.bioexcel.eu/t/error-c3028-in-gromacs-2025-when-building-on-windows-with-cuda/11546)
**Author:** [@KaneGreen](https://gromacs.bioexcel.eu/u/KaneGreen)\ **Replies:** 7\ **Last updated:** [February 20, 2025, 1:49pm UTC](https://gromacs.bioexcel.eu/t/error-c3028-in-gromacs-2025-when-building-on-windows-with-cuda/11546 "2025-02-20T13:49:44Z")
GROMACS version: 2025.0 GROMACS modification: No I’m trying to build GROMACS with CUDA support on Windows, using MSVC toolchain. I have revert CMake version to 3.30.5. I’ve setup CUDA 12.4.1, and I have Visual Studio… --- ## [Make check error of Pdb2gmx3Test](https://gromacs.bioexcel.eu/t/make-check-error-of-pdb2gmx3test/10911)
**Author:** [@sizhe\_Li](https://gromacs.bioexcel.eu/u/sizhe_Li)\ **Replies:** 0\ **Last updated:** [December 28, 2024, 2:00am UTC](https://gromacs.bioexcel.eu/t/make-check-error-of-pdb2gmx3test/10911 "2024-12-28T02:00:58Z")
GROMACS version:2024.4 cmake:3.22 gcc / g++:11.4 cuda:11.7 GROMACS modification: Yes/No Here post your question I got the ‘52 - Pdb2gmx3Test (Failed)’ when i run the make check, and here are my commands: ’ mkdir … --- ## [CUDA enabled Gromacs Cp2k installation error](https://gromacs.bioexcel.eu/t/cuda-enabled-gromacs-cp2k-installation-error/7279)
**Author:** [@AKA](https://gromacs.bioexcel.eu/u/AKA)\ **Replies:** 2\ **Last updated:** [July 14, 2024, 7:12am UTC](https://gromacs.bioexcel.eu/t/cuda-enabled-gromacs-cp2k-installation-error/7279 "2024-07-14T07:12:33Z")
GROMACS version:2023.2 GROMACS modification: No CP2K version: 2023.2 Hello all, I was trying to install gromacs with cp2k on nvidia GPU. I installed the psmp version of “local\_cuda” cp2k. The cmake command I used is… --- ## [Error Building GROMACS 2023.3 with CUDA - NVCC/GCC Compatibility Issue](https://gromacs.bioexcel.eu/t/error-building-gromacs-2023-3-with-cuda-nvcc-gcc-compatibility-issue/8016)
**Author:** [@Poccia](https://gromacs.bioexcel.eu/u/Poccia)\ **Replies:** 2\ **Last updated:** [March 14, 2024, 12:54pm UTC](https://gromacs.bioexcel.eu/t/error-building-gromacs-2023-3-with-cuda-nvcc-gcc-compatibility-issue/8016 "2024-03-14T12:54:30Z")
System Information: GROMACS version: 2023.3 GROMACS modification: No OS: Pop!\_OS 22.04 LTS Issue Description: I’m attempting to install GROMACS 2023.3 with CUDA acceleration. Initially, I used the following cmake com… --- ## [Gromacs 2024 MdrunIOTests Failed](https://gromacs.bioexcel.eu/t/gromacs-2024-mdruniotests-failed/8234)
**Author:** [@Vignesh\_SR](https://gromacs.bioexcel.eu/u/Vignesh_SR)\ **Replies:** 4\ **Last updated:** [February 20, 2024, 11:05am UTC](https://gromacs.bioexcel.eu/t/gromacs-2024-mdruniotests-failed/8234 "2024-02-20T11:05:01Z")
GROMACS version: 2024 Dear All, I tried to install the Gromacs 2024 version and I encountered the following error. Here I attached the necessary files. Shall I proceed with the following? Please do needful. Thanks in ad… --- ## [gromacs23.2+Cp2k23.2 installation error](https://gromacs.bioexcel.eu/t/gromacs23-2-cp2k23-2-installation-error/7218)
**Author:** [@AKA](https://gromacs.bioexcel.eu/u/AKA)\ **Replies:** 1\ **Last updated:** [November 30, 2023, 8:58am UTC](https://gromacs.bioexcel.eu/t/gromacs23-2-cp2k23-2-installation-error/7218 "2023-11-30T08:58:18Z")
GROMACS version: 2023.2 GROMACS modification: No Hello. I am trying to compile gromacs 2023.2 with cp2k 2023.2 support. I am facing the following error while running make: lto1: fatal error: multiple prevailing defs f… --- ## [Error during Make stage](https://gromacs.bioexcel.eu/t/error-during-make-stage/5810)
**Author:** [@roozi](https://gromacs.bioexcel.eu/u/roozi)\ **Replies:** 4\ **Last updated:** [February 19, 2023, 3:28am UTC](https://gromacs.bioexcel.eu/t/error-during-make-stage/5810 "2023-02-19T03:28:37Z")
GROMACS version:2021.7 , 2021.6 , 2022.5 , 2023 GROMACS modification: No Hey all, I am trying to build gromacs 2021.7 using Mingw64 on Windows 10 (pro , x64) (without gpu support). & cpu: core-i7. Used Cmake-GUI (3.2… --- ## [Regression tests failed](https://gromacs.bioexcel.eu/t/regression-tests-failed/5466)
**Author:** [@marianasf](https://gromacs.bioexcel.eu/u/marianasf)\ **Replies:** 0\ **Last updated:** [December 21, 2022, 6:59pm UTC](https://gromacs.bioexcel.eu/t/regression-tests-failed/5466 "2022-12-21T18:59:12Z")
GROMACS version: 2022.3 Hi, I’ve been trying to install gromacs 2022.3 in some computers at my lab and at the ‘make check’ step I keep getting failure at 4 regression tests: “The following tests FAILED: regressiontest… --- ## [CMake (?) problem when adding a new library](https://gromacs.bioexcel.eu/t/cmake-problem-when-adding-a-new-library/4371)
**Author:** [@MichelePellegrino](https://gromacs.bioexcel.eu/u/MichelePellegrino)\ **Replies:** 2\ **Last updated:** [June 27, 2022, 7:53pm UTC](https://gromacs.bioexcel.eu/t/cmake-problem-when-adding-a-new-library/4371 "2022-06-27T19:53:43Z")
GROMACS version: 2022 GROMACS modification: Yes Hi, I am trying to port the flow binning code by @pjohansson (GitHub - pjohansson/gromacs-flow-field: Flow field collection and output for GROMACS) to the release versio… --- ## [Error in Gromacs 5.1.3 installation](https://gromacs.bioexcel.eu/t/error-in-gromacs-5-1-3-installation/3071)
**Author:** [@rcsuplito](https://gromacs.bioexcel.eu/u/rcsuplito)\ **Replies:** 0\ **Last updated:** [November 3, 2021, 3:26pm UTC](https://gromacs.bioexcel.eu/t/error-in-gromacs-5-1-3-installation/3071 "2021-11-03T15:26:08Z")
GROMACS version: 5.1.3 GROMACS modification: Yes/No Here post your question I am encountering these errors during my Gromacs 5.1.3 installation. I’m not sure what to do. First error: \[ 3%\] Building C object src/gro…