I'm trying to compile LAMMPS ( https://lammps.sandia.gov/ ) on the master node of an EPYC 7282, so that it may later run on nodes that are EPYC 7542. The CXX flags I'm trying to use are: "-O3 -march=native". But doing so gives me the attached error when I `make`. Note that I am able to build the software when I only use "-O3".
Am I doing anything wrong?
I assume you are using gnu compiler for your compilation. I am able to compiler lammps-19Mar20 version successfully with -march=native.
My system details are
CPU Model : AMD EPYC 7601
OS : Cent OS 8
GNU : 9.2.0
openMPI : 4.0.3
ldd : 2.28
Step that I folled for my compilation :
$ cd lammps-19Mar20/src/
$ make yes-asphere yes-class2 yes-kspace yes-manybody yes-misc yes-molecule
$ make yes-mpiio yes-opt yes-replica yes-rigid
$ make yes-user-omp
$ make g++_openmpi
I have added -march=native to my Makefile.g++_openmpi in MAKE/OPTIONS makefile as you faced compilation issues.
Make snippet :
mpicxx -g -O3 -march=native -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_MPIIO -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX=1 -c ../pair_eam_fs.cpp
mpicxx -g -O3 -march=native -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_MPIIO -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX=1 -c ../fix_press_berendsen.cpp
mpicxx -g -O3 -march=native -DLAMMPS_GZIP -DLMP_USER_OMP -DLMP_MPIIO -DMPICH_SKIP_MPICXX -DOMPI_SKIP_MPICXX=1 -c ../fix_rigid_nh_small.cpp
mpicxx -g -O3 -march=native <obj_files> -o ../lmp_g++_openmpi
text data bss dec hex filename
11856908 8632 16224 11881764 b54d24 ../lmp_g++_openmpi
Please share your compilation steps that you used for lammps including version detail etc for better undestanding of your compilation error.
Hi Ravi, I'm sorry I did not mention this when describing the problem, but I'm using AOCC v2.2.0 + Clang v10.0.0 .
I'm using the latest stable LAMMPS: 29 Oct 2020. The cmake command I run before I run make is as follows:
cmake ../cmake \
-DCMAKE_CXX_FLAGS="-O3 -march=native" \
Thank you for the clarification.
I didnt find any issue with your cmake. Even I am able to buildsuccessfully with your cmake command.
cmake ../cmake/ \
-DCMAKE_CXX_COMPILER=clang++ -DCMAKE_CXX_FLAGS="-O3 -march=native" \
-DMPI_C_COMPILER=mpicc -DMPI_CXX_COMPILER=mpicxx \
Could you please share your CMakeOutput.log file for further investigation?
In the meantime, could you please try with normal make procedure?
1. cd to lammps-29Oct20/src, then
make yes-asphere yes-class2 yes-kspace yes-manybody yes-misc yes-molecule
make yes-mpiio yes-opt yes-replica yes-rigid
2. In src folder, Please run below commands
cp MAKE/OPTIONS/Makefile.g++_openmpi MAKE/OPTIONS/Makefile.clang++_openmpi
sed -i 's/OMPI_CXX = g++/OMPI_CXX = clang++/' MAKE/OPTIONS/Makefile.clang++_openmpi
sed -i 's/g++_openmpi/clang++_openmpi/' MAKE/OPTIONS/Makefile.clang++_openmpi
sed -i 's/GNU g++/AOCC clang++/' MAKE/OPTIONS/Makefile.clang++_openmpi
sed -i "s|-g -O3| -O3 -march=native |" MAKE/OPTIONS/Makefile.clang++_openmpi
sed -i 's/ARCHIVE =\sar/ARCHIVE = llvm-ar/' MAKE/OPTIONS/Makefile.clang++_openmpi
make -j 32 clang++_openmpi
Please let me know if you find any issues with this make procedure.