I have installed GPU GROMACS 2023 on two PCs, and one is working without errors. However, the other one gives a segmentation fault (core dumped) error during the gmx run. I launched Valgrind to check memory using the following command:
Hi,
I installed gpu gromacs-2023.5 and the error occurred in the same place (The error occurred after energy minimization during NVT equilibration).
But, i can’t install gpu gromacs-2024.3 because CMake error. CMakeError.log (8.7 KB) CMakeOutput.log (134.1 KB)
The first issue regarding the segmentation fault in 2023.5, explaining the problem and describing your system setup, preferably with input files, if you can provide that.
The second issue regarding the compilation errors you get with 2024.3.
Hopefully, someone can help you there or provide a bug fix.
Hi,
Additionally, I tried this input file on another computer, and that computer also produced an error. Apparently, the problem is related to the input file