easyconfigs-it4i/l/LAMMPS/LAMMPS-Makefile.mkl.patch
2017-03-09 11:57:40 +01:00

58 lines
1.8 KiB
Diff

--- src/MAKE/Makefile.mkl.orig 2013-10-30 16:23:31.000000000 +0100
+++ src/MAKE/Makefile.mkl 2015-10-05 16:31:51.536587315 +0200
@@ -2,7 +2,7 @@
# Intel recommends Intel Cluster Tools Compiler Edition
# to build libfftw2xc_intel.a:
-# > cd /opt/intel/mkl/10.0.011/interfaces/fftw2xc
+# > cd /apps/intel/composer_xe_2013.5.192/mkl/interfaces/fftw2xc
# > become root via su
# > gmake libem64t
@@ -12,14 +12,21 @@
# compiler/linker settings
# specify flags and libraries needed for your compiler
+INTEL_MKL = $(EBROOTIMKL)/mkl
+INTEL_MKL_INC = $(INTEL_MKL)/include
+INTEL_MKL_LIB = $(INTEL_MKL)/lib/intel64
+INTEL = $(EBROOTICC)
+INTEL_INC = $(INTEL)/include
+INTEL_LIB = $(INTEL)/lib/intel64
+
CC = mpiicc
-CCFLAGS = -O3 -fno-alias -ip -unroll0
+CCFLAGS = -O3 -fno-alias -ip -unroll0 -xHost
SHFLAGS = -fPIC
DEPFLAGS = -M
LINK = mpiicc
-LINKFLAGS = -O -L/opt/intel/mkl/10.0.011/lib/em64t
-LIB = -lstdc++ -lpthread -lmkl_em64t -lguide
+LINKFLAGS = -O -L$(INTEL_MKL_LIB) -L$(INTEL_LIB) -Wl,-rpath,$(INTEL_MKL_LIB) -Wl,-rpath,$(INTEL_LIB)
+LIB = -lstdc++ -liomp5 -lmkl_intel_lp64 -lmkl_core -lmkl_intel_thread -lpthread -lm
SIZE = size
ARCHIVE = ar
@@ -35,6 +42,8 @@
# see possible settings in doc/Section_start.html#2_2 (step 4)
LMP_INC = -DLAMMPS_GZIP
+# RZG setup of LAMMPS
+#LMP_INC = -DLAMMPS_GZIP -DLAMMPS_JPEG
# MPI library, REQUIRED
# see discussion in doc/Section_start.html#2_2 (step 5)
@@ -54,9 +63,9 @@
# PATH = path for FFT library
# LIB = name of FFT library
-FFT_INC = -DFFT_FFTW -I/opt/intel/mkl/10.0.011/include/fftw
+FFT_INC = -DFFT_FFTW -I$(INTEL_MKL_INC)/fftw
FFT_PATH =
-FFT_LIB = /opt/intel/mkl/10.0.011/lib/em64t/libfftw2xc_intel.a
+FFT_LIB = $(INTEL_MKL_LIB)/libfftw2xc_single_intel.a
# JPEG and/or PNG library, OPTIONAL
# see discussion in doc/Section_start.html#2_2 (step 7)