l_BaseKit_p_2024.0.1.46_offline.sh
l_HPCKit_p_2024.0.1.38_offline.sh
else
parallel_studio_xe_2019_update1_cluster_edition.tgz
parallel_studio_x.lic
soft-hpc
More info: mpi不兼容造成内存溢出
Intel_Parallel_Studio_XE_2019_Update1_Linux版
编译
cp arch/makefile.include.intel makefile.include
cd /opt/intel/oneapi/mkl/2024.0/share/mkl/interfaces/fftw3xf
make libintel64
编译修改makefile.include
14,15c14,15
< FC = mpiifort
< FCL = mpiifort
> FC = mpiifx
> FCL = mpiifx
19c19
< FFLAGS = -assume byterecl -w
> FFLAGS = -assume byterecl -w -xCORE-AVX2 -heap-arrays 64
25c25
< OBJECTS = fftmpiw.o fftmpi_map.o fftw3d.o fft3dlib.o
> OBJECTS = fftmpiw.o fftmpi_map.o fftw3d.o fft3dlib.o $(MKLROOT)/share/mkl/interfaces/fftw3xf/libfftw3xf_intel.a
32c32
< CC_LIB = icc
> CC_LIB = icx
40c40
< CXX_PARS = icpc
> CXX_PARS = icpx
51c51
< VASP_TARGET_CPU ?= -xHOST
> VASP_TARGET_CPU ?= -axCORE-AVX2
开始编译
make std DEPS=1 -j16
3分钟结束
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