# File input/output error: tprout.tpr **URL:** \ **Category:** User discussions\ **Created:** [March 3, 2022, 9:39am UTC](https://gromacs.bioexcel.eu/t/file-input-output-error-tprout-tpr/3769 "2022-03-03T09:39:48Z")\ **Posts on this page:** 8\ **Page:** 1
**Author:** ![sam](https://avatars.discourse-cdn.com/v4/letter/s/5f9b8f/32.png) [@sam](https://gromacs.bioexcel.eu/u/sam)\ **Post date:** [March 3, 2022, 9:39am UTC](https://gromacs.bioexcel.eu/t/file-input-output-error-tprout-tpr/3769/1 "2022-03-03T09:39:48Z")
```auto for i in 1 2 3 4 5 6 7 8 9 10 ;do gmx grompp -f nvt$i.mdp -p topol.top -c em.gro -o tprout.tpr done mpirun -np 10 gmx_mpi mdrun -multidir sim1 sim2 sim3 sim4 sim5 sim6 sim7 sim8 sim9 sim10 -deffnm tprout -replex 500 ``` ```auto File input/output error: tprout.tpr ``` ---
**Author:** ![jalemkul](https://dub1.discourse-cdn.com/flex017/user_avatar/gromacs.bioexcel.eu/jalemkul/32/18_2.png) [@jalemkul](https://gromacs.bioexcel.eu/u/jalemkul)\ **Post date:** [March 3, 2022, 1:37pm UTC](https://gromacs.bioexcel.eu/t/file-input-output-error-tprout-tpr/3769/2 "2022-03-03T13:37:06Z")
Your for-loop is not being performed in any kind of subdirectory, so you’re regenerating a file with the same name each time. Then `mdrun` complains that the input file isn’t in the relevant directories. You need to generate a `.tpr` file in each subdirectory, not in some top-level directory (which is going to be continually over-written as you have it constructed). ---
**Author:** ![sam](https://avatars.discourse-cdn.com/v4/letter/s/5f9b8f/32.png) [@sam](https://gromacs.bioexcel.eu/u/sam)\ **Post date:** [March 3, 2022, 1:44pm UTC](https://gromacs.bioexcel.eu/t/file-input-output-error-tprout-tpr/3769/3 "2022-03-03T13:44:16Z")
Thanks a lot for replying excuse me I searching for solving this problem but couldn’t generate the tpr in the sub-directory and you help, please? i tried also to implement this command in each directory manually gmx grompp -f nvt1.mdp -c em.gro -p topol.top -o tprout.tpr but didn’t get the tpr output and got this warning ```auto ------------------------------------------------------- Program: gmx grompp, version 2018.1 Source file: src/gromacs/gmxpreprocess/grompp.cpp (line 2406) Fatal error: Too many warnings (1). If you are sure all warnings are harmless, use the -maxwarn option. For more information and tips for troubleshooting, please check the GROMACS website at http://www.gromacs.org/Documentation/Errors ``` ---
**Author:** ![sam](https://avatars.discourse-cdn.com/v4/letter/s/5f9b8f/32.png) [@sam](https://gromacs.bioexcel.eu/u/sam)\ **Post date:** [March 3, 2022, 1:52pm UTC](https://gromacs.bioexcel.eu/t/file-input-output-error-tprout-tpr/3769/4 "2022-03-03T13:52:42Z")
i think that becasue the different veriosn of gromacs as i installed 2020.4 but got with this warning ``` `gmx grompp, version 2018.1` how can i remove this version 2018.1 , please ? ---
**Author:** ![jalemkul](https://dub1.discourse-cdn.com/flex017/user_avatar/gromacs.bioexcel.eu/jalemkul/32/18_2.png) [@jalemkul](https://gromacs.bioexcel.eu/u/jalemkul)\ **Post date:** [March 3, 2022, 1:57pm UTC](https://gromacs.bioexcel.eu/t/file-input-output-error-tprout-tpr/3769/5 "2022-03-03T13:57:52Z")
> [@sam](#): > > Thanks a lot for replying excuse me I searching for solving this problem but couldn’t generate the tpr in the sub-directory and you help, please? You need to descend into each subdirectory within the for-loop, then return to the top-level directory after the `grompp` command is complete. If you’re getting warnings, you need to inspect where they’re coming from. You haven’t posted what the warning actually is, so no one can possibly help you sort it out. > [@sam](#): > > how can i remove this version 2018.1 , please ? No idea. How and where did you install it? Where is the 2020.4 version installed? How did you configure your environment? If you want to have multiple versions installed and selectively use one version or another, you need to have good organization of your files and environment. ---
**Author:** ![jalemkul](https://dub1.discourse-cdn.com/flex017/user_avatar/gromacs.bioexcel.eu/jalemkul/32/18_2.png) [@jalemkul](https://gromacs.bioexcel.eu/u/jalemkul)\ **Post date:** [March 3, 2022, 2:15pm UTC](https://gromacs.bioexcel.eu/t/file-input-output-error-tprout-tpr/3769/7 "2022-03-03T14:15:00Z")
The warning tells you what to do. Your `tau-p` value is too small in light of the other settings being applied. ---
**Author:** ![sam](https://avatars.discourse-cdn.com/v4/letter/s/5f9b8f/32.png) [@sam](https://gromacs.bioexcel.eu/u/sam)\ **Post date:** [March 3, 2022, 2:20pm UTC](https://gromacs.bioexcel.eu/t/file-input-output-error-tprout-tpr/3769/8 "2022-03-03T14:20:31Z")
i set it to be 0.2 should increase it ? ---
**Author:** ![jalemkul](https://dub1.discourse-cdn.com/flex017/user_avatar/gromacs.bioexcel.eu/jalemkul/32/18_2.png) [@jalemkul](https://gromacs.bioexcel.eu/u/jalemkul)\ **Post date:** [March 3, 2022, 2:33pm UTC](https://gromacs.bioexcel.eu/t/file-input-output-error-tprout-tpr/3769/9 "2022-03-03T14:33:09Z")
You set it to 0.5 according to the warning. And given that the value of `nstpcouple*dt` is 0.12, `tau-p` must be at least 10x larger. So 1.2 is the minimum value to set for `tau-p`. The value of `nstpcouple*dt` is a little oddly large, because normally one uses a `tau-p` value on the order of 0.5 - 1.0 with the Berendsen barostat.