Add OpenMP parallelization for computeForce.
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@ -7,11 +7,11 @@ ANSI_CFLAGS += -std=c99
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ANSI_CFLAGS += -pedantic
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ANSI_CFLAGS += -pedantic
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ANSI_CFLAGS += -Wextra
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ANSI_CFLAGS += -Wextra
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CFLAGS = -Ofast $(ANSI_CFLAGS) #-g
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CFLAGS = -Ofast $(ANSI_CFLAGS) -Xpreprocessor -fopenmp #-g
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ASFLAGS = -masm=intel
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ASFLAGS = -masm=intel
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CXXFLAGS = $(CFLAGS)
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CXXFLAGS = $(CFLAGS)
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FCFLAGS =
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FCFLAGS =
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LFLAGS =
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LFLAGS =
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DEFINES = -D_GNU_SOURCE -DALIGNMENT=64
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DEFINES = -D_GNU_SOURCE -DALIGNMENT=64
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INCLUDES =
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INCLUDES =
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LIBS =
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LIBS = -lomp
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@ -156,6 +156,7 @@ double computeForce(Parameter *param, Atom *atom, Neighbor *neighbor)
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fz[i] = 0.0;
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fz[i] = 0.0;
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}
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}
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#pragma omp parallel for
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for(int i = 0; i < Nlocal; i++) {
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for(int i = 0; i < Nlocal; i++) {
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neighs = &neighbor->neighbors[i * neighbor->maxneighs];
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neighs = &neighbor->neighbors[i * neighbor->maxneighs];
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int numneighs = neighbor->numneigh[i];
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int numneighs = neighbor->numneigh[i];
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