GROMACS version:2024.2
GROMACS modification: No
Dear all,
I know there are some posts about this topic but I still can not find the solution for this.
While I am trying to install the gromacs with cp2k interface, I always experience the error at the make stage with the following :
/usr/bin/ld: /data/Software/cp2k/cp2k/lib/local/psmp/exts/dbcsr/libdbcsr.a(dbcsr_mm_3d.o): relocation R_X86_64_32 against symbol `__dbcsr_mm_common_MOD_memtype_mpi_buffer’ can not be used when making a PIE object; recompile with -fPIE
It is recommended to use -fPIE for recompile but where can I set this option for cp2k or gromacs?
My cmake flags looks like ;/data/usr/bin/cmake … -DREGRESSIONTEST_DOWNLOAD=off -DGMX_MPI=ON -DCMAKE_INSTALL_PREFIX=/data/usr/local/gromacs2024_cp2k/ -DGMX_GPU=CUDA -DGMX_CP2K=ON -DCP2K_DIR=/data/Software/cp2k/cp2k/lib/local/psmp/ -DBUILD_SHARED_LIBS=OFF -DGMXAPI=OFF -DGMX_INSTALL_NBLIB_API=OFF -DCMAKE_PREFIX_PATH=“/data/Software/cp2k/cp2k/tools/toolchain/install/openblas-0.3.27;/data/Software/cp2k/cp2k/tools/toolchain/install/fftw-3.3.10;/data/Software/cp2k/cp2k/tools/toolchain/install/openblas-0.3.27;/data/Software/cp2k/cp2k/tools/toolchain/install/scalapack-2.2.1” -DGMX_EXTERNAL_BLAS=ON -DGMX_EXTERNAL_LAPACK=ON -DCMAKE_C_COMPILER=/usr/bin/gcc -DCMAKE_CXX_COMPILER=/usr/bin/g++ -Wno-dev
Does anyone have any idea about the source of this error?
Thanks in advance
TT