Hi,
I can not run below gmx command please advice
mca_base_component_repository_open: unable to open mca_accelerator_cuda: libcuda.so.1: cannot open shared object file: No such file or directory (ignored)
[nodegbf3.palmetto.clemson.edu:3457330] mca_base_component_repository_open: unable to open mca_rcache_gpusm: libcuda.so.1: cannot open shared object file: No such file or directory (ignored)
[nodegbf3.palmetto.clemson.edu:3457330] mca_base_component_repository_open: unable to open mca_rcache_rgpusm: libcuda.so.1: cannot open shared object file: No such file or directory (ignored)
[nodegbf3.palmetto.clemson.edu:3457330] mca_base_component_repository_open: unable to open mca_btl_smcuda: libcuda.so.1: cannot open shared object file: No such file or directory (ignored)
:-) GROMACS - gmx trjconv, 2024.2 (-:
Executable: software_slurm/gromacs-2024.2/build_slurm/gmx/bin/gmx_mpi
Data prefix: software_slurm/gromacs-2024.2/build_slurm/gmx
Working dir: VERYIMPORTANTRUNNING/
Command line:
gmx_mpi trjconv -f system.xtc -s system.tpr -o system.gro
Note that major changes are planned in future for trjconv, to improve usability and utility.
Will write gro: Coordinate file in Gromos-87 format
Reading file system.tpr, VERSION 2025.1 (single precision)
Reading file system.tpr, VERSION 2025.1 (single precision)
Program: gmx trjconv, version 2024.2
Source file: listoflists.h (line 98)
Function: gmx::ListOfLists< >::ListOfLists(std::vector&&, std::vector&&) [with T = int]
Inconsistency in user input:
listRanges does not have a first element with value 0