GROMACS version: 2022.3
GROMACS modification: No
Hi,
I’m trying to use GROMACS in an HPC system and I need to use a lot of proper library files to make gmx_mpi to run. So I save those files in a folder exported by the GMXLDLIB variable. I cannot put that same path in the LD_LIBRARY_PATH due to libc.so.6 version conflict with bash and other command line software. I though that GMXLDLIB is like an LD_LIBRARY_PATH but only for gmx_mpi libraries search path. Am I wrong?
eg:
GMXLDLIB=“~/usr/gromacs-2022.3/lib”
ls ~/usr/gromacs-2022.3/lib
core libblas.so.3 libc.so.6 libgfortran.so.5 libgomp.so.1 libhwloc.so.15 liblapack.so.3 libm.so.6 libmuparser.a
ldd gmx_mpi
./gmx_mpi: /lib64/libm.so.6: version GLIBC_2.27' not found (required by ./gmx_mpi) ./gmx_mpi: /lib64/libm.so.6: version GLIBC_2.29’ not found (required by ./gmx_mpi)
…
libhwloc.so.15 => not found
libblas.so.3 => not found
liblapack.so.3 => not found
…
Am I missing something?
Could someone help?
Thanks!