diff --git a/src/MAKE/MACHINES/Makefile.aurora b/src/MAKE/MACHINES/Makefile.aurora index 1b16025f7c..78c08b8e95 100644 --- a/src/MAKE/MACHINES/Makefile.aurora +++ b/src/MAKE/MACHINES/Makefile.aurora @@ -116,6 +116,6 @@ depend : fastdep.exe $(SRC) @./fastdep.exe $(EXTRA_INC) -- $^ > .depend || exit 1 fastdep.exe: ../DEPEND/fastdep.c - cc -O -o $@ $< + icx -O -o $@ $< sinclude .depend diff --git a/src/MAKE/MACHINES/Makefile.aurora_kokkos b/src/MAKE/MACHINES/Makefile.aurora_kokkos index 4aa737346a..a9000bcfd6 100644 --- a/src/MAKE/MACHINES/Makefile.aurora_kokkos +++ b/src/MAKE/MACHINES/Makefile.aurora_kokkos @@ -7,7 +7,7 @@ SHELL = /bin/sh # specify flags and libraries needed for your compiler CC = mpicxx -CCFLAGS = -g -O3 -DNDEBUG +CCFLAGS = -g -O3 -DNDEBUG -w CCFLAGS += -fsycl-device-code-split=per_kernel SHFLAGS = -fPIC DEPFLAGS = -M @@ -54,9 +54,9 @@ MPI_LIB = # PATH = path for FFT library # LIB = name of FFT library -FFT_INC = -FFT_PATH = -FFT_LIB = +FFT_INC = -DFFT_KOKKOS_MKL_GPU -I${MKL_ROOT}/include +FFT_PATH = -L${MKL_ROOT}/lib -L${TBB_ROOT}/lib/intel64/gcc4.8 +FFT_LIB = -lmkl_sycl_dft -lmkl_intel_ilp64 -lmkl_tbb_thread -lmkl_core -ltbb # JPEG and/or PNG library # see discussion in Section 3.5.4 of manual @@ -118,6 +118,6 @@ depend : fastdep.exe $(SRC) @./fastdep.exe $(EXTRA_INC) -- $^ > .depend || exit 1 fastdep.exe: ../DEPEND/fastdep.c - cc -O -o $@ $< + icx -O -o $@ $< sinclude .depend diff --git a/src/info.cpp b/src/info.cpp index 98ed06f498..f50a2ccc6a 100644 --- a/src/info.cpp +++ b/src/info.cpp @@ -1316,6 +1316,8 @@ std::string Info::get_fft_info() #else fft_info += "FFT library = MKL\n"; #endif +#elif defined(FFT_MKL_GPU) + fft_info += "FFT library = MKL GPU\n"; #elif defined(FFT_FFTW3) #if defined(FFT_FFTW_THREADS) fft_info += "FFT library = FFTW3 with threads\n"; @@ -1344,6 +1346,8 @@ std::string Info::get_fft_info() #else fft_info += "KOKKOS FFT library = MKL\n"; #endif +#elif defined(FFT_KOKKOS_MKL_GPU) + fft_info += "KOKKOS FFT library = MKL GPU\n"; #else fft_info += "KOKKOS FFT library = KISS\n"; #endif diff --git a/src/lmpfftsettings.h b/src/lmpfftsettings.h index 1b9c89274c..3bcab4a61b 100644 --- a/src/lmpfftsettings.h +++ b/src/lmpfftsettings.h @@ -39,6 +39,8 @@ #define LMP_FFT_LIB "FFTW3" #elif defined(FFT_MKL) #define LMP_FFT_LIB "MKL FFT" +#elif defined(FFT_MKL_GPU) +#define LMP_FFT_LIB "MKL GPU FFT" #elif defined(FFT_CUFFT) #define LMP_FFT_LIB "cuFFT" #elif defined(FFT_HIPFFT)