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Add code to read GRO files

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Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
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Rafael Ravedutti
2022-03-03 20:03:33 +01:00
parent af92800c64
commit aae29a5b5a
5 changed files with 102 additions and 44 deletions
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4
include_ICC.mk
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@@ -4,7 +4,7 @@ LINKER = $(CC)
OPENMP = #-qopenmp
PROFILE = #-profile-functions -g -pg
OPTS = -Ofast -xCORE-AVX512 -qopt-zmm-usage=high $(PROFILE)
#OPTS = -fast -xCORE-AVX2 $(PROFILE)
#OPTS = -Ofast -xCORE-AVX2 $(PROFILE)
#OPTS = -fast -xAVX $(PROFILE)
#OPTS = -fast -xSSE4.2 $(PROFILE)
#OPTS = -fast -no-vec $(PROFILE)
@@ -12,6 +12,6 @@ OPTS = -Ofast -xCORE-AVX512 -qopt-zmm-usage=high $(PROFILE)
CFLAGS = $(PROFILE) -restrict $(OPENMP) $(OPTS)
ASFLAGS = #-masm=intel
LFLAGS = $(PROFILE) $(OPTS) $(OPENMP)
DEFINES = -D_GNU_SOURCE #-DLIKWID_PERFMON
DEFINES = -std=c11 -pedantic-errors -D_GNU_SOURCE #-DLIKWID_PERFMON
INCLUDES = #$(LIKWID_INC)
LIBS = -lm #$(LIKWID_LIB) -llikwid