# Why is reading charmm36 ff files slow in HPC

**URL:** <https://gromacs.bioexcel.eu/t/why-is-reading-charmm36-ff-files-slow-in-hpc/10652>\
**Category:** User discussions\
**Created:** [November 27, 2024, 9:22pm UTC](https://gromacs.bioexcel.eu/t/why-is-reading-charmm36-ff-files-slow-in-hpc/10652 "2024-11-27T21:22:31Z")\
**Posts on this page:** 2\
**Page:** 1

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**Author:** ![abdulla](https://avatars.discourse-cdn.com/v4/letter/a/c6cbf5/32.png) [@abdulla](https://gromacs.bioexcel.eu/u/abdulla)\
**Post date:** [November 27, 2024, 9:22pm UTC](https://gromacs.bioexcel.eu/t/why-is-reading-charmm36-ff-files-slow-in-hpc/10652/1 "2024-11-27T21:22:31Z")

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GROMACS version:  
GROMACS modification: Yes/No  
Here post your question

First, i have just installed GROMACS 2024 on a HPC …  
first time i used miniconda -i got the normal gmx version - and it worked very fine for me till i tried to use CHARMM36 FF, i noticed that the file reading is SLOW … for example while reading lipid files it takes over 30 mins idk why or how … i tried installing it manually using this

cmake -DCMAKE\_INSTALL\_PATH=\*\*\*\*/data/installed\_pkgs/gromacs24/ -DGMX\_BUILD\_OWN\_FFTW=ON -DREGRESSIONTEST\_DOWNLOAD=ON -DGMX\_MPI=on -DCMAKE\_CXX\_COMPILER=/eb/software/GCCcore/12.3.0/bin/g++ -DCMAKE\_C\_COMPILER=/eb/software/GCCcore/12.3.0/bin/gcc

i used OpenMPI 4.1.5 too

first i want to be able to use the power of the HPC if u have a better cmake pls tell me

second … i tried installing GROMACS in my linux -debian 12- and it worked fine … no slowness or anything …

is that normal ?!

Thanks for your time

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**Author:** ![abdulla](https://avatars.discourse-cdn.com/v4/letter/a/c6cbf5/32.png) [@abdulla](https://gromacs.bioexcel.eu/u/abdulla)\
**Post date:** [November 27, 2024, 9:25pm UTC](https://gromacs.bioexcel.eu/t/why-is-reading-charmm36-ff-files-slow-in-hpc/10652/2 "2024-11-27T21:25:23Z")

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GPU and CPU models are →   
CPU : 2x Intel Xeon E5-2680 v3  
GPU : NVIDIA Tesla K80
