Hi,
I am trying install Amber24. In this processes I am encountering the following error message:
[ 50%] Building CXX object AmberTools/src/cpptraj/src/CMakeFiles/cpptraj_common_obj_mpi.dir/Structure/StructureEnum.cpp.o
[ 50%] Building CXX object AmberTools/src/cpptraj/src/CMakeFiles/cpptraj_common_obj_mpi.dir/Structure/StructureRoutines.cpp.o
[ 50%] Building CXX object AmberTools/src/cpptraj/src/CMakeFiles/cpptraj_common_obj_mpi.dir/Structure/SugarBuilder.cpp.o
[ 50%] Building CXX object AmberTools/src/cpptraj/src/CMakeFiles/cpptraj_common_obj_mpi.dir/Structure/Sugar.cpp.o
[ 50%] Building CXX object AmberTools/src/cpptraj/src/CMakeFiles/cpptraj_common_obj_mpi.dir/Structure/SugarLinkAtoms.cpp.o
[ 50%] Building CXX object AmberTools/src/cpptraj/src/CMakeFiles/cpptraj_common_obj_mpi.dir/Structure/SugarToken.cpp.o
[ 50%] Building CXX object AmberTools/src/cpptraj/src/CMakeFiles/cpptraj_common_obj_mpi.dir/Structure/Zmatrix.cpp.o
[ 50%] Built target cpptraj_common_obj_mpi
make: *** [Makefile:156: all] Error 2
My run_cmake options are as follows,
cmake $AMBER_PREFIX/amber24_src \
-DCMAKE_INSTALL_PREFIX=$AMBER_PREFIX/amber24 \
-DCOMPILER=INTELLLVM \
-DOPENMP=FALSE \
-DBUILD_GUI=TRUE \
-DMPI=TRUE -DCUDA=FALSE -DINSTALL_TESTS=TRUE \
-DMPI_C_COMPILER=/opt/intel/oneapi/mpi/2021.15/bin/mpicc \
-DMPI_CXX_COMPILER=/opt/intel/oneapi/mpi/2021.15/bin/mpicxx \
-DMPI_Fortran_COMPILER=/opt/intel/oneapi/mpi/2021.15/bin/mpif90 \
-DTRUST_SYSTEM_LIBS=mkl \
-DMKL_HOME=/opt/intel/oneapi/mkl/2025.1 \
-DDOWNLOAD_MINICONDA=TRUE \
2>&1 | tee cmake.log
Could someone shed some light as to where/what I am doing wrong and how to troubleshoot and fix this?
Many thanks
Russell
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Apr 17 2025 - 04:30:02 PDT
