Regarding the error undefined reference to `srot_', `strsm_'

User discussions
1

GROMACS version: 2022.0
GROMACS modification: No

Dear Users and Developers,
I have found a thread (Gromacs 2020.2 install error) regarding the error I have encountered during every installation of gromacs version higher than 2019.5. But I couldn’t find any fruitful solution for the error.cmake runs well without any error. Following is my cmake command and options
cmake … -DGMX_BUILD_OWN_FFTW=ON -DREGRESSIONTEST_DOWNLOAD=ON -DGMX_GPU=CUDA -DCUDA_TOOLKIT_ROOT_DIR=/usr/local/cuda-11.6 -DGMX_MPI=ON -DCMAKE_INSTALL_PREFIX=/mypath/gmx2021_mpi_install

But “make” gives the following error:
…/…/lib/libgromacs_mpi.so.7.0.0: undefined reference to srot_' ../../lib/libgromacs_mpi.so.7.0.0: undefined reference to strsm_’
collect2: error: ld returned 1 exit status
make[2]: *** [src/programs/CMakeFiles/gmx.dir/build.make:95: bin/gmx_mpi] Error 1
make[1]: *** [CMakeFiles/Makefile2:6089: src/programs/CMakeFiles/gmx.dir/all] Error 2
make[1]: *** Waiting for unfinished jobs…
[ 98%] Linking CXX shared library …/…/lib/libgmxapi_mpi.so
[ 98%] Built target gmxapi
[ 98%] Linking CXX shared library …/…/lib/libtestutils.so
[ 98%] Built target testutils
[ 98%] Linking CXX shared library …/…/lib/libnblib.so
[ 98%] Built target nblib
make: *** [Makefile:166: all] Error 2

Please help if anyone is there who has already resolved this problem.

Thanks in advance,
Naba

2

I solved it by installing lapack-devel package.

dnf --enablerepo=powertools install lapack-devel
3

Thanks.
After installing lapack-devel package, I still have the problems mentioned above by you. I don’t know how to solve it.
sincerely,
jim