Restart work. Set compiler to gcc.
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parent
f035415b1b
commit
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15
Makefile
15
Makefile
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@ -25,9 +25,21 @@ BINDIR = $(BASEDIR)bin/
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# Set the compiler choice
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# Set the compiler choice
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#CXX = g++
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#CXX = g++
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CXX = /usr/local/bin/g++
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CXX = /usr/local/bin/g++
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# On OS X, using a separate installation of llvm tools:
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# CXX = /usr/local/opt/llvm/bin/clang++ -Xpreprocessor -fopenmp -lomp -L/usr/local/opt/llvm/lib:lib/ -I/usr/local/opt/llvm/include
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# CXX = clang++ -Weverything -ferror-limit=1
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# CXX += -Wno-padded -Wno-c++98-compat-pedantic -Wno-exit-time-destructors
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# CXX += -Wno-unused-parameter -Wno-global-constructors -Wno-sign-conversion -Wno-documentation -Wno-weak-vtables -Wno-unused-variable -Wno-shadow -Wno-float-conversion -Wno-float-equal -Wno-shorten-64-to-32 -Wno-conditional-uninitialized -Wno-unreachable-code -Wno-missing-prototypes -Wno-missing-variable-declarations -Wno-deprecated -Wno-documentation-unknown-command -Wno-zero-as-null-pointer-constant
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#CXXFLAGS = -std=c++14 -fopenmp
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CXXFLAGS = -fopenmp
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LDFLAGS = -L$(LIBDIR)
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LDLIBS = -l$(VERSION)
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INC = -I$(HEADDIR)
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MPICXX = mpicxx
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MPICXX = mpicxx
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#COMPILE = g++ -Wall -I$(BASEDIR)include/ -L$(LIBDIR) -O3 -stdlib=libstdc++
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#COMPILE = g++ -Wall -I$(BASEDIR)include/ -L$(LIBDIR) -O3 -stdlib=libstdc++
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#COMPILE = g++ -Wall -I$(BASEDIR)include/ -L$(LIBDIR) -O3
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#COMPILE = g++ -Wall -I$(BASEDIR)include/ -L$(LIBDIR) -O3
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#COMPILE = g++ -I$(BASEDIR)include/ -L$(LIBDIR) -O3 -w -fopenmp
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#COMPILE = g++ -I$(BASEDIR)include/ -L$(LIBDIR) -O3 -w -fopenmp
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@ -37,6 +49,9 @@ COMPILE = $(CXX) -I$(BASEDIR)include/ -L$(LIBDIR) -O3 -w -fopenmp
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COMPILE_MPI = mpicxx -I$(BASEDIR)include/ -L$(LIBDIR) -O3 -w -fopenmp
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COMPILE_MPI = mpicxx -I$(BASEDIR)include/ -L$(LIBDIR) -O3 -w -fopenmp
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#COMPILE_OMP = g++ -I$(BASEDIR)include/ -L$(LIBDIR) -O3 -w -fopenmp
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#COMPILE_OMP = g++ -I$(BASEDIR)include/ -L$(LIBDIR) -O3 -w -fopenmp
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#COMPILE = $(CXX) $(CXXFLAGS) $(INC) $(LDFLAGS)
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#COMPILE = $(CXX)
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VPATH = $(SRCDIR)BETHE:$(SRCDIR)LIEBLIN:$(SRCDIR)COMBI:$(SRCDIR)EXECS:$(SRCDIR)FITTING:$(SRCDIR)HEIS:$(SRCDIR)INTEG:$(SRCDIR)MATRIX:$(SRCDIR)NRG:$(SRCDIR)ODSLF:$(SRCDIR)SCAN:$(SRCDIR)TBA:$(SRCDIR)UTILS:$(SRCDIR)XXX_VOA:$(SRCDIR)XXZ_VOA:$(SRCDIR)YOUNG
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VPATH = $(SRCDIR)BETHE:$(SRCDIR)LIEBLIN:$(SRCDIR)COMBI:$(SRCDIR)EXECS:$(SRCDIR)FITTING:$(SRCDIR)HEIS:$(SRCDIR)INTEG:$(SRCDIR)MATRIX:$(SRCDIR)NRG:$(SRCDIR)ODSLF:$(SRCDIR)SCAN:$(SRCDIR)TBA:$(SRCDIR)UTILS:$(SRCDIR)XXX_VOA:$(SRCDIR)XXZ_VOA:$(SRCDIR)YOUNG
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vpath %.h $(HEADDIR)
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vpath %.h $(HEADDIR)
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@ -17,7 +17,7 @@ Purpose: Core header file, includes all descendents.
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// This core header file includes all the others
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// This core header file includes all the others
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const char ABACUS_VERSION[20] = "ABACUS++G_8";
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const char ABACUS_VERSION[20] = "ABACUS_0a";
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// Standard includes
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// Standard includes
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#include <cmath>
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#include <cmath>
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@ -556,8 +556,23 @@ namespace ABACUS {
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}
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}
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Ix2_min[j] = -Ix2_max[j];
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Ix2_min[j] = -Ix2_max[j];
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Ix2_max[j] += 4;
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Ix2_min[j] -= 4;
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}
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}
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// New attempt
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// for (int j = 0; j < RefChain.Nstrings; ++j) {
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// sum1 = 0;
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// for (int k = 0; k < RefChain.Nstrings; ++k) {
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// sum1 += (j == k ? 0 : Nrap[k] * 2 * ABACUS::min(RefChain.Str_L[j], RefChain.Str_L[k]));
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// }
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// Ix2_max[j] = RefChain.Nsites - (2 * RefChain.Str_L[j] - 1) * (Nrap[j] - 1) - sum1;
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// Ix2_min[j] = -Ix2_max[j] + 2;
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// Ix2_max[j] += 2;
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// Ix2_min[j] -= 2;
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//}
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} // if XXZ_gpd
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} // if XXZ_gpd
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}
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}
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@ -192,6 +192,25 @@ namespace ABACUS {
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for (int alpha = 0; alpha < base[j]; ++alpha)
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for (int alpha = 0; alpha < base[j]; ++alpha)
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if ((Ix2[j][alpha] < -chain.Nsites) || (Ix2[j][alpha] >= chain.Nsites)) answer = false;
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if ((Ix2[j][alpha] < -chain.Nsites) || (Ix2[j][alpha] >= chain.Nsites)) answer = false;
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// Check that sum over quantum numbers fits in fundamental interval
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int sumI = 0;
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for (int j = 0; j < chain.Nstrings; ++j)
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for (int alpha = 0; alpha < base[j]; ++alpha)
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sumI += Ix2[j][alpha];
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if (sumI < -chain.Nsites + 2 || sumI > chain.Nsites) answer = false;
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// Check max distance between min and max quantum numbers at each level:
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for (int j = 0; j < chain.Nstrings; ++j) {
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int sum1 = 0;
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for (int k = 0; k < chain.Nstrings; ++k) {
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sum1 += (j == k) ? 0 : 2 * base[k] * ABACUS::min(chain.Str_L[j], chain.Str_L[k]);
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if (base[j] > 0 &&
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(Ix2[j][base[j] - 1] - Ix2[j][0]
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>= 2*(chain.Nsites - (2*chain.Str_L[j] - 1) * base[j] - sum1)))
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answer = false;
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}
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}
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if (!answer) {
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if (!answer) {
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E = 0.0;
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E = 0.0;
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K = 0.0;
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K = 0.0;
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@ -213,7 +213,6 @@ namespace ABACUS {
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// A paralevel == 2 branching's files have a suffix of the form "_3_8_2_8", meaning that this
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// A paralevel == 2 branching's files have a suffix of the form "_3_8_2_8", meaning that this
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// is the rank 2 out of 8 subscan of the _3_8 scan.
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// is the rank 2 out of 8 subscan of the _3_8 scan.
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bool in_parallel = (paralevel > 0);
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bool in_parallel = (paralevel > 0);
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if (in_parallel && (rank.size() != paralevel || nr_processors.size() != paralevel)) {
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if (in_parallel && (rank.size() != paralevel || nr_processors.size() != paralevel)) {
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cout << "paralevel = " << paralevel << "\trank.size() = " << rank.size()
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cout << "paralevel = " << paralevel << "\trank.size() = " << rank.size()
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