# Mdrun aborts without notification and doesnt produce the expected output **URL:** \ **Category:** User discussions\ **Tags:** mdrun\ **Created:** [February 10, 2024, 10:30am UTC](https://gromacs.bioexcel.eu/t/mdrun-aborts-without-notification-and-doesnt-produce-the-expected-output/8313 "2024-02-10T10:30:02Z")\ **Posts on this page:** 3\ **Page:** 1
**Author:** ![russpe](https://avatars.discourse-cdn.com/v4/letter/r/67e7ee/32.png) [@russpe](https://gromacs.bioexcel.eu/u/russpe)\ **Post date:** [February 10, 2024, 10:30am UTC](https://gromacs.bioexcel.eu/t/mdrun-aborts-without-notification-and-doesnt-produce-the-expected-output/8313/1 "2024-02-10T10:30:02Z")
GROMACS version: 2024 GROMACS modification: No Hi, I am new to GROMACS and recently installed GROMACS with CUDA. I tried to follow this tutorial: [https://youtu.be/vK5RRg8gEyc?si=vXJ-n\_2KlVcm37SX](https://youtu.be/vK5RRg8gEyc?si=vXJ-n_2KlVcm37SX) . But when I use mdrun, the process ends without giving an error in the console: PS N:\gromacs\Files for gromacs\> gmx mdrun -v -s energymin.tpr -deffnm em :-) GROMACS - gmx mdrun, 2024 (-: Executable: N:\gromacs\GMX\bin\gmx.exe Data prefix: N:\gromacs\GMX Working dir: N:\gromacs\Files for gromacs Command line: gmx mdrun -v -s energymin.tpr -deffnm em Reading file energymin.tpr, VERSION 2024 (single precision) 1 GPU selected for this run. Mapping of GPU IDs to the 1 GPU task in the 1 rank on this node: PP:0 PP tasks will do (non-perturbed) short-ranged interactions on the GPU PP task will update and constrain coordinates on the CPU Using 1 MPI thread Using 20 OpenMP threads Steepest Descents: Tolerance (Fmax) = 1.00000e+03 Number of steps = 50000 My only hint is in the .log file with: Update task can not run on the GPU, because the following condition(s) were not satisfied: Only the md integrator is supported. but if I run with -nb cpu I have the same problem. I hope somebody knows how to fix this, as Bioinformatics isn’t my specialty. I can gladly provide more information if that helps. [#em.log](https://gromacs.bioexcel.eu/uploads/short-url/gJUUgbmBCwb7oncxDwSDSIilJXi.log) (16.2 KB) ---
**Author:** ![russpe](https://avatars.discourse-cdn.com/v4/letter/r/67e7ee/32.png) [@russpe](https://gromacs.bioexcel.eu/u/russpe)\ **Post date:** [February 10, 2024, 11:48am UTC](https://gromacs.bioexcel.eu/t/mdrun-aborts-without-notification-and-doesnt-produce-the-expected-output/8313/2 "2024-02-10T11:48:31Z")
EDIT: I should also add, that I had to use set(CMAKE\_MSVC\_RUNTIME\_LIBRARY “MultiThreaded$\<$CONFIG:Debug:Debug\>”) in the cMakeLists.txt when building the Programm. ([Build fails on windows when cuda is enabled (#4582) · Issues · GROMACS / GROMACS · GitLab](https://gitlab.com/gromacs/gromacs/-/issues/4582#note_1389260017)) and I had to specify -DGMX\_CUDA\_TARGET\_SM=89 otherwise it would build with the unsupported 3.5 version. ---
**Author:** ![MagnusL](https://dub1.discourse-cdn.com/flex017/user_avatar/gromacs.bioexcel.eu/magnusl/32/2380_2.png) [@MagnusL](https://gromacs.bioexcel.eu/u/MagnusL)\ **Post date:** [February 12, 2024, 9:14am UTC](https://gromacs.bioexcel.eu/t/mdrun-aborts-without-notification-and-doesnt-produce-the-expected-output/8313/3 "2024-02-12T09:14:22Z")
It’s possible that this is the same issue as reported in [No run after gmx mdrun (#4956) · Issues · GROMACS / GROMACS · GitLab](https://gitlab.com/gromacs/gromacs/-/issues/4956).