Error Instalation

[defanet]

I got errors like below, please tell me what I miss

$ make g++ -I. -I./include/ -I./ -I./newmat10/ -I/usr/include -I. -I./modules/generate_blocks/ -I./modules/onepdm -I./modules/twopdm/ -I./modules/npdm -I./modules/two_index_ops -I./modules/three_index_ops -I./modules/four_index_ops -std=c++0x -I./modules/ResponseTheory -I./modules/nevpt2 -I./molcas -I./modules/mps_nevpt -DNDEBUG -O2 -g -funroll-loops -Werror -Wno-error=deprecated-declarations -fdiagnostics-color=always -DBLAS -DUSELAPACK -DSERIAL -DBOOST_1_71_0 -DFAST_MTP -D_HAS_CBLAS -c saveBlock.C -o saveBlock.o saveBlock.C: In static member function ‘static void SpinAdapted::StackSpinBlock::restore(bool, const std::vector&, SpinAdapted::StackSpinBlock&, int, int, char)’: saveBlock.C:102:8: error: ignoring return value of ‘size_t fread(void, size_t, size_t, FILE)’, declared with attribute warn_unused_result [-Werror=unused-result] 102 | fread(initialData, sizeof(int), 31, fp[0]); | ~^~~~~~~~~ saveBlock.C:103:8: error: ignoring return value of ‘size_t fread(void, size_t, size_t, FILE)’, declared with attribute warn_unused_result [-Werror=unused-result] 103 | fread(&allindexsize, sizeof(int), 1, fp[0]); | ~^~~~~~~~~~ saveBlock.C:105:8: error: ignoring return value of ‘size_t fread(void, size_t, size_t, FILE)’, declared with attribute warn_unused_result [-Werror=unused-result] 105 | fread(allindices, sizeof(int), allindexsize, fp[0]); | ~^~~~~~~~~~ saveBlock.C:107:8: error: ignoring return value of ‘size_t fread(void, size_t, size_t, FILE)’, declared with attribute warn_unused_result [-Werror=unused-result] 107 | fread(&(b.totalMemory), sizeof(long), 1, fp[0]); | ~^~~~~~~~~~ saveBlock.C:111:8: error: ignoring return value of ‘size_t fread(void, size_t, size_t, FILE*)’, declared with attribute warn_unused_result [-Werror=unused-result] 111 | fread(b.data, sizeof(double), b.totalMemory, fp[0]); | ~^~~~~~~~~~ cc1plus: all warnings being treated as errors make: *** [Makefile:233: saveBlock.o] Error 1

[bogdanoff]

Which version of gcc are you using? For now it should be fixed by adding -Wno-error=unused-result next to -Wno-error=deprecated-declarations in the Makefile. Ultimately the result of fread should always be verified...

[defanet]

Thanks for your response @bogdanoff I am using: g++ (Ubuntu 9.3.0-17ubuntu1~20.04) 9.3.0 I also add -Wno-error=unused-result in the makefile as you said then compiling work well for most files and few of them show warning. In the end, I got this error:

g++ -I. -I./include/ -I./ -I./newmat10/ -I/usr/include -I. -I./modules/generate_blocks/ -I./modules/onepdm -I./modules/twopdm/ -I./modules/npdm -I./modules/two_index_ops -I./modules/three_index_ops -I./modules/four_index_ops -std=c++0x -I./modules/ResponseTheory -I./modules/nevpt2 -I./molcas -I./modules/mps_nevpt -DNDEBUG -O2 -g -funroll-loops -Werror -Wno-error=unused-result -Wno-error=deprecated-declarations -fdiagnostics-color=always -DBLAS -DUSELAPACK -DSERIAL -DBOOST_1_71_0 -DFAST_MTP -D_HAS_CBLAS -c modules/npdm/npdm_spin_adaptation.C -o modules/npdm/npdm_spin_adaptation.o In file included from modules/npdm/npdm_spin_adaptation.C:6: modules/npdm/npdm_spin_transformation.h:9:10: fatal error: boost/spirit/home/phoenix/container.hpp: No such file or directory 9 | #include <boost/spirit/home/phoenix/container.hpp> | ^~~~~~~~~ compilation terminated. make: *** [Makefile:233: modules/npdm/npdm_spin_adaptation.o] Error 1

[bogdanoff]

As the error suggests, compiler can't find some headers from the boost library. Did you build boost yourself? If you installed system packages, you need libboost-system libboost-system-dev libboost-filesystem1.71.0 libboost-filesystem-dev libboost-serialization-dev libboost-serialization1.71.0 installed. You have a strange option is -DBOOST_1_71_0, it was -DBOOST_1_56_0 in the original Makefile and should not be changed.

[defanet]

After installing all libboost above then I got another error:

cd ./newmat10/ && make -f makefile libnewmat.a make[1]: Entering directory '/home/defanet/chemlib/StackBlock/newmat10' g++ g++ -fPIC -O2 -Wall -c newmat1.cpp g++ -fPIC -O2 -Wall -c newmat2.cpp newmat2.cpp: In member function ‘void MatrixRowCol::Add(const MatrixRowCol&)’: newmat2.cpp:34:4: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation] 34 | if (f < skip) f = skip; if (l > lx) l = lx; l -= f; | ^~ newmat2.cpp:34:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’ 34 | if (f < skip) f = skip; if (l > lx) l = lx; l -= f; | ^~ newmat2.cpp: In member function ‘void MatrixRowCol::AddScaled(const MatrixRowCol&, Real)’: newmat2.cpp:45:4: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation] 45 | if (f < skip) f = skip; if (l > lx) l = lx; l -= f; | ^~ newmat2.cpp:45:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’ 45 | if (f < skip) f = skip; if (l > lx) l = lx; l -= f; | ^~ newmat2.cpp: In member function ‘void MatrixRowCol::Sub(const MatrixRowCol&)’: newmat2.cpp:56:4: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation] 56 | if (f < skip) f = skip; if (l > lx) l = lx; l -= f; | ^~ newmat2.cpp:56:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’ 56 | if (f < skip) f = skip; if (l > lx) l = lx; l -= f; | ^~ newmat2.cpp: In member function ‘void MatrixRowCol::Inject(const MatrixRowCol&)’: newmat2.cpp:67:4: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation] 67 | if (f < skip) f = skip; if (l > lx) l = lx; l -= f; | ^~ newmat2.cpp:67:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’ 67 | if (f < skip) f = skip; if (l > lx) l = lx; l -= f; | ^~ newmat2.cpp: In function ‘Real DotProd(const MatrixRowCol&, const MatrixRowCol&)’: newmat2.cpp:78:4: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation] 78 | if (f < f2) f = f2; if (l > l2) l = l2; l -= f; | ^~ newmat2.cpp:78:24: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’ 78 | if (f < f2) f = f2; if (l > l2) l = l2; l -= f; | ^~ newmat2.cpp: In member function ‘void MatrixRowCol::Add(const MatrixRowCol&, const MatrixRowCol&)’: newmat2.cpp:92:4: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation] 92 | if (f1<f) f1=f; if (l1>l) l1=l; | ^~ newmat2.cpp:92:20: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’ 92 | if (f1<f) f1=f; if (l1>l) l1=l; | ^~ newmat2.cpp:94:4: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation] 94 | if (f2<f) f2=f; if (l2>l) l2=l; | ^~ newmat2.cpp:94:20: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’ 94 | if (f2<f) f2=f; if (l2>l) l2=l; | ^~ newmat2.cpp: In member function ‘void MatrixRowCol::Sub(const MatrixRowCol&, const MatrixRowCol&)’: newmat2.cpp:164:4: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation] 164 | if (f1<f) f1=f; if (l1>l) l1=l; | ^~ newmat2.cpp:164:20: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’ 164 | if (f1<f) f1=f; if (l1>l) l1=l; | ^~ newmat2.cpp:166:4: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation] 166 | if (f2<f) f2=f; if (l2>l) l2=l; | ^~ newmat2.cpp:166:20: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’ 166 | if (f2<f) f2=f; if (l2>l) l2=l; | ^~ newmat2.cpp: In member function ‘void MatrixRowCol::Multiply(const MatrixRowCol&, const MatrixRowCol&)’: newmat2.cpp:328:4: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation] 328 | if (f1<f) f1=f; if (l1>l) l1=l; | ^~ newmat2.cpp:328:20: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’ 328 | if (f1<f) f1=f; if (l1>l) l1=l; | ^~ newmat2.cpp:330:4: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation] 330 | if (f2<f) f2=f; if (l2>l) l2=l; | ^~ newmat2.cpp:330:20: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’ 330 | if (f2<f) f2=f; if (l2>l) l2=l; | ^~ newmat2.cpp:332:4: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation] 332 | if (f1<f2) f1 = f2; if (l1>l2) l1 = l2; | ^~ newmat2.cpp:332:24: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’ 332 | if (f1<f2) f1 = f2; if (l1>l2) l1 = l2; | ^~ g++ -fPIC -O2 -Wall -c newmat3.cpp newmat3.cpp: In member function ‘virtual void SymmetricBandMatrix::GetRow(MatrixRowCol&)’: newmat3.cpp:664:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation] 664 | if (s>0) w -= s; mrc.storage = w; int w2 = w-w1; | ^~ newmat3.cpp:664:24: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’ 664 | if (s>0) w -= s; mrc.storage = w; int w2 = w-w1; | ^~~ newmat3.cpp: In member function ‘virtual void SymmetricBandMatrix::GetCol(MatrixRowCol&)’: newmat3.cpp:705:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation] 705 | if (s>0) w -= s; mrc.storage = w; int w2 = w-w1; | ^~ newmat3.cpp:705:24: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’ 705 | if (s>0) w -= s; mrc.storage = w; int w2 = w-w1; | ^~~ newmat3.cpp: In member function ‘virtual void SymmetricBandMatrix::GetCol(MatrixColX&)’: newmat3.cpp:755:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation] 755 | if (s>0) w -= s; mrc.storage = w; int w2 = w-w1; | ^~ newmat3.cpp:755:24: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’ 755 | if (s>0) w -= s; mrc.storage = w; int w2 = w-w1; | ^~~ g++ -fPIC -O2 -Wall -c newmat4.cpp g++ -fPIC -O2 -Wall -c newmat5.cpp In file included from newmat.h:11, from newmat5.cpp:9: newmat5.cpp: In destructor ‘MatrixInput::~MatrixInput()’: newmat5.cpp:525:69: warning: throw will always call terminate() [-Wterminate] 525 | if (n!=0) Throw(ProgramException("A list of values was too short")); | ^ myexcept.h:191:24: note: in definition of macro ‘Throw’ 191 | #define Throw(E) throw E | ^ newmat5.cpp:525:69: note: in C++11 destructors default to noexcept 525 | if (n!=0) Throw(ProgramException("A list of values was too short")); | ^ myexcept.h:191:24: note: in definition of macro ‘Throw’ 191 | #define Throw(E) throw E | ^ g++ -fPIC -O2 -Wall -c newmat6.cpp g++ -fPIC -O2 -Wall -c newmat7.cpp newmat7.cpp: In member function ‘virtual GeneralMatrix AddedMatrix::Evaluate(MatrixType)’: newmat7.cpp:577:13: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation] 577 | if (!c1) gm1->tDelete(); if (!c2) gm2->tDelete(); | ^~ newmat7.cpp:577:38: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’ 577 | if (!c1) gm1->tDelete(); if (!c2) gm2->tDelete(); | ^~ newmat7.cpp:584:10: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation] 584 | if (!c1) gm1->tDelete(); if (!c2) gm2->tDelete(); | ^~ newmat7.cpp:584:35: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’ 584 | if (!c1) gm1->tDelete(); if (!c2) gm2->tDelete(); | ^~ newmat7.cpp: In member function ‘virtual GeneralMatrix SubtractedMatrix::Evaluate(MatrixType)’: newmat7.cpp:655:10: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation] 655 | if (!c1) gm1->tDelete(); gmx = gm2; | ^~ newmat7.cpp:655:35: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’ 655 | if (!c1) gm1->tDelete(); gmx = gm2; | ^~~ newmat7.cpp:664:13: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation] 664 | if (!c1) gm1->tDelete(); if (!c2) gm2->tDelete(); | ^~ newmat7.cpp:664:38: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’ 664 | if (!c1) gm1->tDelete(); if (!c2) gm2->tDelete(); | ^~ newmat7.cpp:671:10: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation] 671 | if (!c1) gm1->tDelete(); if (!c2) gm2->tDelete(); | ^~ newmat7.cpp:671:35: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’ 671 | if (!c1) gm1->tDelete(); if (!c2) gm2->tDelete(); | ^~ newmat7.cpp: In member function ‘virtual GeneralMatrix SPMatrix::Evaluate(MatrixType)’: newmat7.cpp:749:13: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation] 749 | if (!c1) gm1->tDelete(); if (!c2) gm2->tDelete(); | ^~ newmat7.cpp:749:38: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’ 749 | if (!c1) gm1->tDelete(); if (!c2) gm2->tDelete(); | ^~ newmat7.cpp:756:10: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation] 756 | if (!c1) gm1->tDelete(); if (!c2) gm2->tDelete(); | ^~ newmat7.cpp:756:35: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’ 756 | if (!c1) gm1->tDelete(); if (!c2) gm2->tDelete(); | ^~ newmat7.cpp: In function ‘bool RealEqual(Real, Real, int)’: newmat7.cpp:885:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation] 885 | if (s1++ != s2++) return false; if (s1++ != s2++) return false; | ^~ newmat7.cpp:885:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’ 885 | if (s1++ != s2++) return false; if (s1++ != s2++) return false; | ^~ newmat7.cpp:886:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation] 886 | if (s1++ != s2++) return false; if (s1++ != s2++) return false; | ^~ newmat7.cpp:886:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’ 886 | if (s1++ != s2++) return false; if (s1++ != s2++) return false; | ^~ newmat7.cpp: In function ‘bool intEqual(int, int, int)’: newmat7.cpp:897:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation] 897 | if (s1++ != s2++) return false; if (s1++ != s2++) return false; | ^~ newmat7.cpp:897:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’ 897 | if (s1++ != s2++) return false; if (s1++ != s2++) return false; | ^~ newmat7.cpp:898:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation] 898 | if (s1++ != s2++) return false; if (s1++ != s2++) return false; | ^~ newmat7.cpp:898:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’ 898 | if (s1++ != s2++) return false; if (s1++ != s2++) return false; | ^~ newmat7.cpp: In member function ‘bool GeneralMatrix::IsZero() const’: newmat7.cpp:975:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation] 975 | if (s++) return false; if (s++) return false; | ^~ newmat7.cpp:975:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’ 975 | if (s++) return false; if (s++) return false; | ^~ newmat7.cpp:976:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation] 976 | if (s++) return false; if (s++) return false; | ^~ newmat7.cpp:976:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’ 976 | if (s++) return false; if (s++) return false; | ^~ g++ -fPIC -O2 -Wall -c newmat8.cpp newmat8.cpp: In member function ‘virtual LogAndSign CroutMatrix::LogDeterminant() const’: newmat8.cpp:705:4: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation] 705 | if (!d) sum.ChangeSign(); return sum; | ^~ newmat8.cpp:705:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’ 705 | if (!d) sum.ChangeSign(); return sum; | ^~ g++ -fPIC -O2 -Wall -c newmatex.cpp g++ -fPIC -O2 -Wall -c bandmat.cpp bandmat.cpp: In member function ‘virtual LogAndSign BandLUMatrix::LogDeterminant() const’: bandmat.cpp:261:4: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation] 261 | if (!d) sum.ChangeSign(); return sum; | ^~ bandmat.cpp:261:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’ 261 | if (!d) sum.ChangeSign(); return sum; | ^~ g++ -fPIC -O2 -Wall -c submat.cpp g++ -fPIC -O2 -Wall -c myexcept.cpp g++ -fPIC -O2 -Wall -c cholesky.cpp g++ -fPIC -O2 -Wall -c evalue.cpp g++ -fPIC -O2 -Wall -c fft.cpp g++ -fPIC -O2 -Wall -c hholder.cpp g++ -fPIC -O2 -Wall -c jacobi.cpp g++ -fPIC -O2 -Wall -c newfft.cpp g++ -fPIC -O2 -Wall -c sort.cpp g++ -fPIC -O2 -Wall -c svd.cpp g++ -fPIC -O2 -Wall -c newmatrm.cpp g++ -fPIC -O2 -Wall -c newmat9.cpp ar -cr libnewmat.a newmat1.o newmat2.o newmat3.o newmat4.o newmat5.o newmat6.o newmat7.o newmat8.o newmatex.o bandmat.o submat.o myexcept.o cholesky.o evalue.o fft.o hholder.o jacobi.o newfft.o sort.o svd.o newmatrm.o newmat9.o ranlib libnewmat.a make[1]: Leaving directory '/home/defanet/chemlib/StackBlock/newmat10' g++ -I. -I./include/ -I./ -I./newmat10/ -I/usr/include -I. -I./modules/generate_blocks/ -I./modules/onepdm -I./modules/twopdm/ -I./modules/npdm -I./modules/two_index_ops -I./modules/three_index_ops -I./modules/four_index_ops -std=c++0x -I./modules/ResponseTheory -I./modules/nevpt2 -I./molcas -I./modules/mps_nevpt -DNDEBUG -O2 -g -funroll-loops -Werror -Wno-error=unused-result -Wno-error=deprecated-declarations -fdiagnostics-color=always -DBLAS -DUSELAPACK -DSERIAL -DBOOST_1_56_0 -DFAST_MTP -D_HAS_CBLAS -o block.spin_adapted saveBlock.o Stackspinblock.o operatorUtilities.o Stack_op_components.o stackguess_wavefunction.o Stackwavefunction.o Stackdensity.o stackopxop.o StackBaseOperator.o StackOperators.o modules/ResponseTheory/sweepResponse.o modules/ResponseTheory/sweepCompress.o pario.o dmrg.o fiedler.o least_squares.o sweep_mps.o set_stackspinblock_components.o linear.o main.o readinput.o timer.o SpinQuantum.o Symmetry.o input.o hfOccGenerator.o Schedule.o orbstring.o slater.o csf.o StateInfo.o screen.o MatrixBLAS.o operatorfunctions.o solver.o davidson.o sweep_params.o sweep.o partial_sweep.o BlockAndDecimate.o initblocks.o rotationmat.o renormalise.o couplingCoeffs.o distribute.o new_anglib.o fci.o IrrepSpace.o modules/generate_blocks/sweep.o genetic/CrossOver.o genetic/Evaluate.o genetic/GAInput.o genetic/GAOptimize.o genetic/Generation.o genetic/Mutation.o genetic/RandomGenerator.o genetic/ReadIntegral.o SpinSpace.o include/IntegralMatrix.o modules/onepdm/sweep.o modules/onepdm/onepdm.o modules/npdm/npdm.o modules/npdm/npdm_driver.o modules/npdm/npdm_patterns.o modules/npdm/npdm_expectations.o modules/npdm/npdm_expectations_engine.o modules/npdm/npdm_permutations.o modules/npdm/npdm_spin_adaptation.o modules/npdm/npdm_operator_selector.o modules/npdm/npdm_spin_ops.o modules/npdm/onepdm_container.o modules/npdm/twopdm_container.o modules/npdm/threepdm_container.o modules/npdm/fourpdm_container.o modules/two_index_ops/two_index_wrappers.o modules/three_index_ops/three_index_wrappers.o modules/four_index_ops/four_index_wrappers.o modules/three_index_ops/three_index_compound_ops.o modules/four_index_ops/four_index_compound_ops.o modules/three_index_ops/three_index_op_components.o modules/four_index_ops/four_index_op_components.o modules/three_index_ops/three_index_ops.o modules/four_index_ops/four_index_ops.o modules/three_index_ops/build_3index_ops.o modules/four_index_ops/build_4index_ops.o modules/npdm/pairpdm_container.o modules/npdm/nevpt2_npdm_driver.o modules/npdm/nevpt2_container.o modules/npdm/externalsort.o modules/three_index_ops/build_3index_singleoperator.o modules/npdm/npdm_driver_2.o modules/mps_nevpt/nevpt_op_component.o modules/mps_nevpt/type1.o modules/mps_nevpt/mps_nevpt.o fciqmchelper.o -L./newmat10/ -lnewmat -L/usr/lib/lib -lboost_system -lboost_filesystem -lboost_serialization /usr/bin/ld: Stackspinblock.o: in function `DCOPY(int, double, int, double, int)': /home/defanet/chemlib/StackBlock/./blascalls.h:191: undefined reference to `dcopy' /usr/bin/ld: /home/defanet/chemlib/StackBlock/./blascalls.h:191: undefined reference to `dcopy' /usr/bin/ld: Stackspinblock.o: in function void SpinAdapted::MatrixMultiply<SpinAdapted::StackMatrix, Matrix, Matrix>(SpinAdapted::StackMatrix const&, char, Matrix const&, char, Matrix&, double, double)': /home/defanet/chemlib/StackBlock/MatrixBLAS.h:264: undefined reference todgemm' /usr/bin/ld: Stackspinblock.o: in function void SpinAdapted::MatrixMultiply<Matrix, Matrix, SpinAdapted::StackMatrix>(Matrix const&, char, Matrix const&, char, SpinAdapted::StackMatrix&, double, double)': /home/defanet/chemlib/StackBlock/MatrixBLAS.h:284: undefined reference todgemm' /usr/bin/ld: stackguesswavefunction.o: in function void SpinAdapted::MatrixMultiply<SpinAdapted::StackMatrix, Matrix, SpinAdapted::StackMatrix>(SpinAdapted::StackMatrix const&, char, Matrix const&, char, SpinAdapted::StackMatrix&, double, double)': /home/defanet/chemlib/StackBlock/MatrixBLAS.h:274: undefined reference todgemm' /usr/bin/ld: stackguess_wavefunction.o: in function `DAXPY(int, double, double, int, double, int)': /home/defanet/chemlib/StackBlock/blascalls.h:165: undefined reference to `daxpy' /usr/bin/ld: stackguesswavefunction.o: in function void SpinAdapted::MatrixMultiply<SpinAdapted::StackMatrix, Matrix, Matrix>(SpinAdapted::StackMatrix const&, char, Matrix const&, char, Matrix&, double, double)': /home/defanet/chemlib/StackBlock/MatrixBLAS.h:264: undefined reference todgemm' /usr/bin/ld: stackguesswavefunction.o: in function void SpinAdapted::MatrixMultiply<Matrix, Matrix, SpinAdapted::StackMatrix>(Matrix const&, char, Matrix const&, char, SpinAdapted::StackMatrix&, double, double)': /home/defanet/chemlib/StackBlock/MatrixBLAS.h:264: undefined reference todgemm' /usr/bin/ld: stackguess_wavefunction.o: in function `DSCAL(int, double, double, int)': /home/defanet/chemlib/StackBlock/blascalls.h:379: undefined reference to `dscal' /usr/bin/ld: stackguesswavefunction.o: in function void SpinAdapted::MatrixMultiply<Matrix, SpinAdapted::StackMatrix, SpinAdapted::StackMatrix>(Matrix const&, char, SpinAdapted::StackMatrix const&, char, SpinAdapted::StackMatrix&, double, double)': /home/defanet/chemlib/StackBlock/MatrixBLAS.h:294: undefined reference todgemm' /usr/bin/ld: /home/defanet/chemlib/StackBlock/MatrixBLAS.h:284: undefined reference to dgemm_' /usr/bin/ld: Stackwavefunction.o: in functionDCOPY(int, double, int, double, int)': /home/defanet/chemlib/StackBlock/blascalls.h:191: undefined reference to `dcopy' /usr/bin/ld: Stackwavefunction.o: in function DAXPY(int, double, double*, int, double*, int)': /home/defanet/chemlib/StackBlock/blas_calls.h:165: undefined reference todaxpy_' /usr/bin/ld: Stackwavefunction.o: in function DCOPY(int, double*, int, double*, int)': /home/defanet/chemlib/StackBlock/blas_calls.h:191: undefined reference todcopy_' /usr/bin/ld: Stackdensity.o: in function DAXPY(int, double, double*, int, double*, int)': /home/defanet/chemlib/StackBlock/blas_calls.h:165: undefined reference todaxpy_' /usr/bin/ld: Stackdensity.o: in function DCOPY(int, double*, int, double*, int)': /home/defanet/chemlib/StackBlock/blas_calls.h:191: undefined reference todcopy_' /usr/bin/ld: Stackdensity.o: in function DAXPY(int, double, double*, int, double*, int)': /home/defanet/chemlib/StackBlock/blas_calls.h:165: undefined reference todaxpy_' /usr/bin/ld: /home/defanet/chemlib/StackBlock/blascalls.h:165: undefined reference to `daxpy' /usr/bin/ld: Stackdensity.o: in function DCOPY(int, double*, int, double*, int)': /home/defanet/chemlib/StackBlock/blas_calls.h:191: undefined reference todcopy_' /usr/bin/ld: Stackdensity.o: in function DAXPY(int, double, double*, int, double*, int)': /home/defanet/chemlib/StackBlock/blas_calls.h:165: undefined reference todaxpy_' /usr/bin/ld: Stackdensity.o: in function DCOPY(int, double*, int, double*, int)': /home/defanet/chemlib/StackBlock/blas_calls.h:191: undefined reference todcopy_' /usr/bin/ld: Stackdensity.o: in function DAXPY(int, double, double*, int, double*, int)': /home/defanet/chemlib/StackBlock/blas_calls.h:165: undefined reference todaxpy' /usr/bin/ld: stackopxop.o: in function void SpinAdapted::MatrixMultiply<SpinAdapted::StackMatrix, SpinAdapted::StackMatrix, SpinAdapted::StackMatrix>(SpinAdapted::StackMatrix const&, char, SpinAdapted::StackMatrix const&, char, SpinAdapted::StackMatrix&, double, double)': /home/defanet/chemlib/StackBlock/MatrixBLAS.h:294: undefined reference todgemm' /usr/bin/ld: /home/defanet/chemlib/StackBlock/MatrixBLAS.h:284: undefined reference to dgemm_' /usr/bin/ld: StackBaseOperator.o: in functionDDOT(int, double, int, double, int)': /home/defanet/chemlib/StackBlock/blascalls.h:219: undefined reference to `ddot' /usr/bin/ld: StackBaseOperator.o: in function DSCAL(int, double, double*, int)': /home/defanet/chemlib/StackBlock/blas_calls.h:379: undefined reference todscal_' /usr/bin/ld: StackBaseOperator.o: in function DCOPY(int, double*, int, double*, int)': /home/defanet/chemlib/StackBlock/blas_calls.h:191: undefined reference todcopy_' /usr/bin/ld: /home/defanet/chemlib/StackBlock/blascalls.h:191: undefined reference to `dcopy' /usr/bin/ld: /home/defanet/chemlib/StackBlock/blascalls.h:191: undefined reference to `dcopy' /usr/bin/ld: /home/defanet/chemlib/StackBlock/blascalls.h:191: undefined reference to `dcopy' /usr/bin/ld: /home/defanet/chemlib/StackBlock/blascalls.h:191: undefined reference to `dcopy' /usr/bin/ld: StackBaseOperator.o: in function DAXPY(int, double, double*, int, double*, int)': /home/defanet/chemlib/StackBlock/blas_calls.h:165: undefined reference todaxpy_' /usr/bin/ld: StackOperators.o: in function DAXPY(int, double, double*, int, double*, int)': /home/defanet/chemlib/StackBlock/blas_calls.h:165: undefined reference todaxpy_' /usr/bin/ld: /home/defanet/chemlib/StackBlock/blascalls.h:165: undefined reference to `daxpy' /usr/bin/ld: /home/defanet/chemlib/StackBlock/blascalls.h:165: undefined reference to `daxpy' /usr/bin/ld: /home/defanet/chemlib/StackBlock/blascalls.h:165: undefined reference to `daxpy' /usr/bin/ld: modules/ResponseTheory/sweepResponse.o: in function DCOPY(int, double*, int, double*, int)': /home/defanet/chemlib/StackBlock/./blas_calls.h:191: undefined reference todcopy_' /usr/bin/ld: modules/ResponseTheory/sweepResponse.o: in function DSCAL(int, double, double*, int)': /home/defanet/chemlib/StackBlock/./blas_calls.h:379: undefined reference todscal_' /usr/bin/ld: modules/ResponseTheory/sweepCompress.o: in function DCOPY(int, double*, int, double*, int)': /home/defanet/chemlib/StackBlock/./blas_calls.h:191: undefined reference todcopy_' /usr/bin/ld: /home/defanet/chemlib/StackBlock/./blascalls.h:191: undefined reference to `dcopy' /usr/bin/ld: modules/ResponseTheory/sweepCompress.o: in function DAXPY(int, double, double*, int, double*, int)': /home/defanet/chemlib/StackBlock/./blas_calls.h:165: undefined reference todaxpy_' /usr/bin/ld: modules/ResponseTheory/sweepCompress.o: in function DCOPY(int, double*, int, double*, int)': /home/defanet/chemlib/StackBlock/./blas_calls.h:191: undefined reference todcopy_' /usr/bin/ld: /home/defanet/chemlib/StackBlock/./blascalls.h:191: undefined reference to `dcopy' /usr/bin/ld: /home/defanet/chemlib/StackBlock/./blascalls.h:191: undefined reference to `dcopy' /usr/bin/ld: dmrg.o: in function boost::interprocess::shared_memory_object::priv_open_or_create(boost::interprocess::ipcdetail::create_enum_t, char const*, boost::interprocess::mode_t, boost::interprocess::permissions const&)': /usr/include/boost/interprocess/shared_memory_object.hpp:333: undefined reference toshm_open' /usr/bin/ld: /usr/include/boost/interprocess/shared_memory_object.hpp:340: undefined reference to shm_open' /usr/bin/ld: linear.o: in functionDCOPY(int, double, int, double, int)': /home/defanet/chemlib/StackBlock/blascalls.h:191: undefined reference to `dcopy' /usr/bin/ld: /home/defanet/chemlib/StackBlock/blascalls.h:191: undefined reference to `dcopy' /usr/bin/ld: /home/defanet/chemlib/StackBlock/blascalls.h:191: undefined reference to `dcopy' /usr/bin/ld: /home/defanet/chemlib/StackBlock/blascalls.h:191: undefined reference to `dcopy' /usr/bin/ld: MatrixBLAS.o: in function DDOT(int, double*, int, double*, int)': /home/defanet/chemlib/StackBlock/blas_calls.h:219: undefined reference toddot_' /usr/bin/ld: /home/defanet/chemlib/StackBlock/blascalls.h:219: undefined reference to `ddot' /usr/bin/ld: /home/defanet/chemlib/StackBlock/blascalls.h:219: undefined reference to `ddot' /usr/bin/ld: MatrixBLAS.o: in function GESV(int, int, double*, int, int*, double*, int, int)': /home/defanet/chemlib/StackBlock/blas_calls.h:333: undefined reference todgesv_' /usr/bin/ld: /home/defanet/chemlib/StackBlock/blascalls.h:333: undefined reference to `dgesv' /usr/bin/ld: MatrixBLAS.o: in function DGESVD(char, char, int, int, double*, int, double*, double*, int, double*, int, double*, int, int)': /home/defanet/chemlib/StackBlock/blas_calls.h:358: undefined reference todgesvd_' /usr/bin/ld: /home/defanet/chemlib/StackBlock/blascalls.h:358: undefined reference to `dgesvd' /usr/bin/ld: MatrixBLAS.o: in function DSTEV(char, int, double*, double*, double*, int, double*, int)': /home/defanet/chemlib/StackBlock/blas_calls.h:324: undefined reference todstev_' /usr/bin/ld: MatrixBLAS.o: in function DSYEV(char, char, int, double*, int, double*, double*, int, int)': /home/defanet/chemlib/StackBlock/blas_calls.h:315: undefined reference todsyev_' /usr/bin/ld: /home/defanet/chemlib/StackBlock/blascalls.h:315: undefined reference to `dsyev' /usr/bin/ld: MatrixBLAS.o: in function DCOPY(int, double*, int, double*, int)': /home/defanet/chemlib/StackBlock/blas_calls.h:191: undefined reference todcopy_' /usr/bin/ld: MatrixBLAS.o: in function DSYEV(char, char, int, double*, int, double*, double*, int, int)': /home/defanet/chemlib/StackBlock/blas_calls.h:315: undefined reference todsyev_' /usr/bin/ld: /home/defanet/chemlib/StackBlock/blascalls.h:315: undefined reference to `dsyev' /usr/bin/ld: MatrixBLAS.o: in function DCOPY(int, double*, int, double*, int)': /home/defanet/chemlib/StackBlock/blas_calls.h:191: undefined reference todcopy_' /usr/bin/ld: /home/defanet/chemlib/StackBlock/blascalls.h:191: undefined reference to `dcopy' /usr/bin/ld: /home/defanet/chemlib/StackBlock/blascalls.h:191: undefined reference to `dcopy' /usr/bin/ld: /home/defanet/chemlib/StackBlock/blascalls.h:191: undefined reference to `dcopy' /usr/bin/ld: /home/defanet/chemlib/StackBlock/blascalls.h:191: undefined reference to `dcopy' /usr/bin/ld: MatrixBLAS.o:/home/defanet/chemlib/StackBlock/blascalls.h:191: more undefined references to `dcopy' follow /usr/bin/ld: operatorfunctions.o: in function DAXPY(int, double, double*, int, double*, int)': /home/defanet/chemlib/StackBlock/blas_calls.h:165: undefined reference todaxpy_' /usr/bin/ld: /home/defanet/chemlib/StackBlock/blascalls.h:165: undefined reference to `daxpy' /usr/bin/ld: /home/defanet/chemlib/StackBlock/blascalls.h:165: undefined reference to `daxpy' /usr/bin/ld: /home/defanet/chemlib/StackBlock/blascalls.h:165: undefined reference to `daxpy' /usr/bin/ld: /home/defanet/chemlib/StackBlock/blascalls.h:165: undefined reference to `daxpy' /usr/bin/ld: operatorfunctions.o:/home/defanet/chemlib/StackBlock/blascalls.h:165: more undefined references to `daxpy' follow /usr/bin/ld: operatorfunctions.o: in function DDOT(int, double*, int, double*, int)': /home/defanet/chemlib/StackBlock/blas_calls.h:219: undefined reference toddot_' /usr/bin/ld: solver.o: in function SpinAdapted::Solver::solve_wavefunction(std::vector<SpinAdapted::StackWavefunction, std::allocator<SpinAdapted::StackWavefunction> >&, std::vector<double, std::allocator<double> >&, SpinAdapted::StackSpinBlock&, double, SpinAdapted::guessWaveTypes const&, bool const&, bool const&, bool const&, bool const&, double, int, std::vector<SpinAdapted::StackWavefunction, std::allocator<SpinAdapted::StackWavefunction> >&)': /home/defanet/chemlib/StackBlock/solver.C:75: undefined reference toidamax' /usr/bin/ld: rotationmat.o: in function void SpinAdapted::MatrixMultiply<SpinAdapted::StackMatrix, SpinAdapted::StackMatrix, SpinAdapted::StackMatrix>(SpinAdapted::StackMatrix const&, char, SpinAdapted::StackMatrix const&, char, SpinAdapted::StackMatrix&, double, double)': /home/defanet/chemlib/StackBlock/MatrixBLAS.h:274: undefined reference todgemm' /usr/bin/ld: renormalise.o: in function DCOPY(int, double*, int, double*, int)': /home/defanet/chemlib/StackBlock/blas_calls.h:191: undefined reference todcopy_' /usr/bin/ld: /home/defanet/chemlib/StackBlock/blascalls.h:191: undefined reference to `dcopy' /usr/bin/ld: include/IntegralMatrix.o: in function SpinAdapted::OneElectronArray::ReadFromDumpFile(std::basic_ifstream<char, std::char_traits<char> >&, int)': /home/defanet/chemlib/StackBlock/include/IntegralMatrix.C:174: undefined reference todgemm' /usr/bin/ld: /home/defanet/chemlib/StackBlock/include/IntegralMatrix.C:175: undefined reference to `dgemm' /usr/bin/ld: modules/npdm/npdm_expectations.o: in function DDOT(int, double*, int, double*, int)': /home/defanet/chemlib/StackBlock/./blas_calls.h:219: undefined reference toddot_' /usr/bin/ld: modules/npdm/npdm_expectations_engine.o: in function DDOT(int, double*, int, double*, int)': /home/defanet/chemlib/StackBlock/./blas_calls.h:219: undefined reference toddot_' /usr/bin/ld: modules/mps_nevpt/type1.o: in function DAXPY(int, double, double*, int, double*, int)': /home/defanet/chemlib/StackBlock/./blas_calls.h:165: undefined reference todaxpy_' /usr/bin/ld: /home/defanet/chemlib/StackBlock/./blascalls.h:165: undefined reference to `daxpy' /usr/bin/ld: modules/mps_nevpt/type1.o: in function DCOPY(int, double*, int, double*, int)': /home/defanet/chemlib/StackBlock/./blas_calls.h:191: undefined reference todcopy_' collect2: error: ld returned 1 exit status make: *** [Makefile:239: block.spin_adapted] Error 1

[sanshar]

Most of the messages are warning and should not be a problem. But at the end the error message appears to be due to the fact that you are not linking the blas/mkl libraries correctly.

Sandeep.

On Fri, Feb 12, 2021 at 8:43 AM defanet notifications@github.com wrote:

After installing all libboost above then I got another error:

cd ./newmat10/ && make -f makefile libnewmat.a make[1]: Entering directory '/home/defanet/chemlib/StackBlock/newmat10' g++ g++ -fPIC -O2 -Wall -c newmat1.cpp g++ -fPIC -O2 -Wall -c newmat2.cpp newmat2.cpp: In member function ‘void MatrixRowCol::Add(const MatrixRowCol&)’: newmat2.cpp:34:4: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation] 34 | if (f < skip) f = skip; if (l > lx) l = lx; l -= f; | ^~ newmat2.cpp:34:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’ 34 | if (f < skip) f = skip; if (l > lx) l = lx; l -= f; | ^~ newmat2.cpp: In member function ‘void MatrixRowCol::AddScaled(const MatrixRowCol&, Real)’: newmat2.cpp:45:4: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation] 45 | if (f < skip) f = skip; if (l > lx) l = lx; l -= f; | ^~ newmat2.cpp:45:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’ 45 | if (f < skip) f = skip; if (l > lx) l = lx; l -= f; | ^~ newmat2.cpp: In member function ‘void MatrixRowCol::Sub(const MatrixRowCol&)’: newmat2.cpp:56:4: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation] 56 | if (f < skip) f = skip; if (l > lx) l = lx; l -= f; | ^~ newmat2.cpp:56:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’ 56 | if (f < skip) f = skip; if (l > lx) l = lx; l -= f; | ^~ newmat2.cpp: In member function ‘void MatrixRowCol::Inject(const MatrixRowCol&)’: newmat2.cpp:67:4: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation] 67 | if (f < skip) f = skip; if (l > lx) l = lx; l -= f; | ^~ newmat2.cpp:67:28: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’ 67 | if (f < skip) f = skip; if (l > lx) l = lx; l -= f; | ^~ newmat2.cpp: In function ‘Real DotProd(const MatrixRowCol&, const MatrixRowCol&)’: newmat2.cpp:78:4: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation] 78 | if (f < f2) f = f2; if (l > l2) l = l2; l -= f; | ^~ newmat2.cpp:78:24: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’ 78 | if (f < f2) f = f2; if (l > l2) l = l2; l -= f; | ^~ newmat2.cpp: In member function ‘void MatrixRowCol::Add(const MatrixRowCol&, const MatrixRowCol&)’: newmat2.cpp:92:4: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation] 92 | if (f1<f) f1=f; if (l1>l) l1=l; | ^~ newmat2.cpp:92:20: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’ 92 | if (f1<f) f1=f; if (l1>l) l1=l; | ^~ newmat2.cpp:94:4: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation] 94 | if (f2<f) f2=f; if (l2>l) l2=l; | ^~ newmat2.cpp:94:20: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’ 94 | if (f2<f) f2=f; if (l2>l) l2=l; | ^~ newmat2.cpp: In member function ‘void MatrixRowCol::Sub(const MatrixRowCol&, const MatrixRowCol&)’: newmat2.cpp:164:4: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation] 164 | if (f1<f) f1=f; if (l1>l) l1=l; | ^~ newmat2.cpp:164:20: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’ 164 | if (f1<f) f1=f; if (l1>l) l1=l; | ^~ newmat2.cpp:166:4: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation] 166 | if (f2<f) f2=f; if (l2>l) l2=l; | ^~ newmat2.cpp:166:20: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’ 166 | if (f2<f) f2=f; if (l2>l) l2=l; | ^~ newmat2.cpp: In member function ‘void MatrixRowCol::Multiply(const MatrixRowCol&, const MatrixRowCol&)’: newmat2.cpp:328:4: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation] 328 | if (f1<f) f1=f; if (l1>l) l1=l; | ^~ newmat2.cpp:328:20: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’ 328 | if (f1<f) f1=f; if (l1>l) l1=l; | ^~ newmat2.cpp:330:4: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation] 330 | if (f2<f) f2=f; if (l2>l) l2=l; | ^~ newmat2.cpp:330:20: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’ 330 | if (f2<f) f2=f; if (l2>l) l2=l; | ^~ newmat2.cpp:332:4: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation] 332 | if (f1<f2) f1 = f2; if (l1>l2) l1 = l2; | ^~ newmat2.cpp:332:24: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’ 332 | if (f1<f2) f1 = f2; if (l1>l2) l1 = l2; | ^~ g++ -fPIC -O2 -Wall -c newmat3.cpp newmat3.cpp: In member function ‘virtual void SymmetricBandMatrix::GetRow(MatrixRowCol&)’: newmat3.cpp:664:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation] 664 | if (s>0) w -= s; mrc.storage = w; int w2 = w-w1; | ^~ newmat3.cpp:664:24: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’ 664 | if (s>0) w -= s; mrc.storage = w; int w2 = w-w1; | ^~~ newmat3.cpp: In member function ‘virtual void SymmetricBandMatrix::GetCol(MatrixRowCol&)’: newmat3.cpp:705:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation] 705 | if (s>0) w -= s; mrc.storage = w; int w2 = w-w1; | ^~ newmat3.cpp:705:24: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’ 705 | if (s>0) w -= s; mrc.storage = w; int w2 = w-w1; | ^~~ newmat3.cpp: In member function ‘virtual void SymmetricBandMatrix::GetCol(MatrixColX&)’: newmat3.cpp:755:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation] 755 | if (s>0) w -= s; mrc.storage = w; int w2 = w-w1; | ^~ newmat3.cpp:755:24: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’ 755 | if (s>0) w -= s; mrc.storage = w; int w2 = w-w1; | ^~~ g++ -fPIC -O2 -Wall -c newmat4.cpp g++ -fPIC -O2 -Wall -c newmat5.cpp In file included from newmat.h:11, from newmat5.cpp:9: newmat5.cpp: In destructor ‘MatrixInput::MatrixInput()’: newmat5.cpp:525:69: warning: throw will always call terminate() [-Wterminate] 525 | if (n!=0) Throw(ProgramException("A list of values was too short")); | ^ myexcept.h:191:24: note: in definition of macro ‘Throw’ 191 | #define Throw(E) throw E | ^ newmat5.cpp:525:69: note: in C++11 destructors default to noexcept 525 | if (n!=0) Throw(ProgramException("A list of values was too short")); | ^ myexcept.h:191:24: note: in definition of macro ‘Throw’ 191 | #define Throw(E) throw E | ^ g++ -fPIC -O2 -Wall -c newmat6.cpp g++ -fPIC -O2 -Wall -c newmat7.cpp newmat7.cpp: In member function ‘virtual GeneralMatrix AddedMatrix::Evaluate(MatrixType)’: newmat7.cpp:577:13: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation] 577 | if (!c1) gm1->tDelete(); if (!c2) gm2->tDelete(); | ^ newmat7.cpp:577:38: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’ 577 | if (!c1) gm1->tDelete(); if (!c2) gm2->tDelete(); | ^~ newmat7.cpp:584:10: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation] 584 | if (!c1) gm1->tDelete(); if (!c2) gm2->tDelete(); | ^~ newmat7.cpp:584:35: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’ 584 | if (!c1) gm1->tDelete(); if (!c2) gm2->tDelete(); | ^~ newmat7.cpp: In member function ‘virtual GeneralMatrix SubtractedMatrix::Evaluate(MatrixType)’: newmat7.cpp:655:10: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation] 655 | if (!c1) gm1->tDelete(); gmx = gm2; | ^~ newmat7.cpp:655:35: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’ 655 | if (!c1) gm1->tDelete(); gmx = gm2; | ^~~ newmat7.cpp:664:13: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation] 664 | if (!c1) gm1->tDelete(); if (!c2) gm2->tDelete(); | ^~ newmat7.cpp:664:38: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’ 664 | if (!c1) gm1->tDelete(); if (!c2) gm2->tDelete(); | ^~ newmat7.cpp:671:10: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation] 671 | if (!c1) gm1->tDelete(); if (!c2) gm2->tDelete(); | ^~ newmat7.cpp:671:35: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’ 671 | if (!c1) gm1->tDelete(); if (!c2) gm2->tDelete(); | ^~ newmat7.cpp: In member function ‘virtual GeneralMatrix SPMatrix::Evaluate(MatrixType)’: newmat7.cpp:749:13: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation] 749 | if (!c1) gm1->tDelete(); if (!c2) gm2->tDelete(); | ^~ newmat7.cpp:749:38: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’ 749 | if (!c1) gm1->tDelete(); if (!c2) gm2->tDelete(); | ^~ newmat7.cpp:756:10: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation] 756 | if (!c1) gm1->tDelete(); if (!c2) gm2->tDelete(); | ^~ newmat7.cpp:756:35: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’ 756 | if (!c1) gm1->tDelete(); if (!c2) gm2->tDelete(); | ^~ newmat7.cpp: In function ‘bool RealEqual(Real, Real, int)’: newmat7.cpp:885:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation] 885 | if (s1++ != s2++) return false; if (s1++ != s2++) return false; | ^~ newmat7.cpp:885:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’ 885 | if (s1++ != *s2++) return false; if (

s1++ != s2++) return false; | ^~ newmat7.cpp:886:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation] 886 | if (s1++ != s2++) return false; if (s1++ != s2++) return false; | ^~ newmat7.cpp:886:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’ 886 | if (s1++ != s2++) return false; if (s1++ != s2++) return false; | ^~ newmat7.cpp: In function ‘bool intEqual(int, int, int)’: newmat7.cpp:897:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation] 897 | if (s1++ != s2++) return false; if (s1++ != s2++) return false; | ^~ newmat7.cpp:897:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’ 897 | if (s1++ != s2++) return false; if (s1++ != s2++) return false; | ^~ newmat7.cpp:898:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation] 898 | if (s1++ != s2++) return false; if (s1++ != s2++) return false; | ^~ newmat7.cpp:898:41: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’ 898 | if (s1++ != s2++) return false; if (s1++ != s2++) return false; | ^~ newmat7.cpp: In member function ‘bool GeneralMatrix::IsZero() const’: newmat7.cpp:975:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation] 975 | if (s++) return false; if (s++) return false; | ^~ newmat7.cpp:975:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’ 975 | if (s++) return false; if (s++) return false; | ^~ newmat7.cpp:976:7: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation] 976 | if (s++) return false; if (s++) return false; | ^~ newmat7.cpp:976:31: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’ 976 | if (s++) return false; if (s++) return false; | ^~ g++ -fPIC -O2 -Wall -c newmat8.cpp newmat8.cpp: In member function ‘virtual LogAndSign CroutMatrix::LogDeterminant() const’: newmat8.cpp:705:4: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation] 705 | if (!d) sum.ChangeSign(); return sum; | ^~ newmat8.cpp:705:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’ 705 | if (!d) sum.ChangeSign(); return sum; | ^~ g++ -fPIC -O2 -Wall -c newmatex.cpp g++ -fPIC -O2 -Wall -c bandmat.cpp bandmat.cpp: In member function ‘virtual LogAndSign BandLUMatrix::LogDeterminant() const’: bandmat.cpp:261:4: warning: this ‘if’ clause does not guard... [-Wmisleading-indentation] 261 | if (!d) sum.ChangeSign(); return sum; | ^~ bandmat.cpp:261:30: note: ...this statement, but the latter is misleadingly indented as if it were guarded by the ‘if’ 261 | if (!d) sum.ChangeSign(); return sum; | ^~ g++ -fPIC -O2 -Wall -c submat.cpp g++ -fPIC -O2 -Wall -c myexcept.cpp g++ -fPIC -O2 -Wall -c cholesky.cpp g++ -fPIC -O2 -Wall -c evalue.cpp g++ -fPIC -O2 -Wall -c fft.cpp g++ -fPIC -O2 -Wall -c hholder.cpp g++ -fPIC -O2 -Wall -c jacobi.cpp g++ -fPIC -O2 -Wall -c newfft.cpp g++ -fPIC -O2 -Wall -c sort.cpp g++ -fPIC -O2 -Wall -c svd.cpp g++ -fPIC -O2 -Wall -c newmatrm.cpp g++ -fPIC -O2 -Wall -c newmat9.cpp ar -cr libnewmat.a newmat1.o newmat2.o newmat3.o newmat4.o newmat5.o newmat6.o newmat7.o newmat8.o newmatex.o bandmat.o submat.o myexcept.o cholesky.o evalue.o fft.o hholder.o jacobi.o newfft.o sort.o svd.o newmatrm.o newmat9.o ranlib libnewmat.a make[1]: Leaving directory '/home/defanet/chemlib/StackBlock/newmat10' g++ -I. -I./include/ -I./ -I./newmat10/ -I/usr/include -I. -I./modules/generate_blocks/ -I./modules/onepdm -I./modules/twopdm/ -I./modules/npdm -I./modules/two_index_ops -I./modules/three_index_ops -I./modules/four_index_ops -std=c++0x -I./modules/ResponseTheory -I./modules/nevpt2 -I./molcas -I./modules/mps_nevpt -DNDEBUG -O2 -g -funroll-loops -Werror -Wno-error=unused-result -Wno-error=deprecated-declarations -fdiagnostics-color=always -DBLAS -DUSELAPACK -DSERIAL -DBOOST_1_56_0 -DFAST_MTP -D_HAS_CBLAS -o block.spin_adapted saveBlock.o Stackspinblock.o operatorUtilities.o Stack_op_components.o stackguess_wavefunction.o Stackwavefunction.o Stackdensity.o stackopxop.o StackBaseOperator.o StackOperators.o modules/ResponseTheory/sweepResponse.o modules/ResponseTheory/sweepCompress.o pario.o dmrg.o fiedler.o least_squares.o sweep_mps.o set_stackspinblock_components.o linear.o main.o readinput.o timer.o SpinQuantum.o Symmetry.o input.o hfOccGenerator.o Schedule.o orbstring.o slater.o csf.o StateInfo.o screen.o MatrixBLAS.o operatorfunctions.o solver.o davidson.o sweep_params.o sweep.o partial_sweep.o BlockAndDecimate.o initblocks.o rotationmat.o renormalise.o couplingCoeffs.o distribute.o new_anglib.o fci.o IrrepSpace.o modules/generate_blocks/sweep.o genetic/CrossOver.o genetic/Evaluate.o genetic/GAInput.o genetic/GAOptimize.o genetic/Generation.o genetic/Mutation.o genetic/RandomGenerator.o genetic/ReadIntegral.o SpinSpace.o include/IntegralMatrix.o modules/onepdm/sweep.o modules/onepdm/onepdm.o modules/npdm/npdm.o modules/npdm/npdm_driver.o modules/npdm/npdm_patterns.o modules/npdm/npdm_expectations.o modules/npdm/npdm_expectations_engine.o modules/npdm/npdm_permutations.o modules/npdm/npdm_spin_adaptation.o modules/npdm/npdm_operator_selector.o modules/npdm/npdm_spin_ops.o modules/npdm/onepdm_container.o modules/npdm/twopdm_container.o modules/npdm/threepdm_container.o modules/npdm/fourpdm_container.o modules/two_index_ops/two_index_wrappers.o modules/three_index_ops/three_index_wrappers.o modules/four_index_ops/four_index_wrappers.o modules/three_index_ops/three_index_compound_ops.o modules/four_index_ops/four_index_compound_ops.o modules/three_index_ops/three_index_op_components.o modules/four_index_ops/four_index_op_components.o modules/three_index_ops/three_index_ops.o modules/four_index_ops/four_index_ops.o modules/three_index_ops/build_3index_ops.o modules/four_index_ops/build_4index_ops.o modules/npdm/pairpdm_container.o modules/npdm/nevpt2_npdm_driver.o modules/npdm/nevpt2_container.o modules/npdm/externalsort.o modules/three_index_ops/build_3index_singleoperator.o modules/npdm/npdm_driver_2.o modules/mps_nevpt/nevpt_op_component.o modules/mps_nevpt/type1.o modules/mps_nevpt/mps_nevpt.o fciqmchelper.o -L./newmat10/ -lnewmat -L/usr/lib/lib -lboost_system -lboost_filesystem -lboost_serialization /usr/bin/ld: Stackspinblock.o: in function DCOPY(int, double, int, double, int)': /home/defanet/chemlib/StackBlock/./blascalls.h:191: undefined reference to dcopy' /usr/bin/ld: /home/defanet/chemlib/StackBlock/./blascalls.h:191: undefined reference to dcopy' /usr/bin/ld: Stackspinblock.o: in function void SpinAdapted::MatrixMultiply<SpinAdapted::StackMatrix, Matrix, Matrix>(SpinAdapted::StackMatrix const&, char, Matrix const&, char, Matrix&, double, double)': /home/defanet/chemlib/StackBlock/MatrixBLAS.h:264: undefined reference to dgemm' /usr/bin/ld: Stackspinblock.o: in function void SpinAdapted::MatrixMultiply<Matrix, Matrix, SpinAdapted::StackMatrix>(Matrix const&, char, Matrix const&, char, SpinAdapted::StackMatrix&, double, double)': /home/defanet/chemlib/StackBlock/MatrixBLAS.h:284: undefined reference to dgemm' /usr/bin/ld: stackguesswavefunction.o: in function void SpinAdapted::MatrixMultiply<SpinAdapted::StackMatrix, Matrix, SpinAdapted::StackMatrix>(SpinAdapted::StackMatrix const&, char, Matrix const&, char, SpinAdapted::StackMatrix&, double, double)': /home/defanet/chemlib/StackBlock/MatrixBLAS.h:274: undefined reference to dgemm' /usr/bin/ld: stackguess_wavefunction.o: in function DAXPY(int, double, double, int, double, int)': /home/defanet/chemlib/StackBlock/blascalls.h:165: undefined reference to daxpy' /usr/bin/ld: stackguesswavefunction.o: in function void SpinAdapted::MatrixMultiply<SpinAdapted::StackMatrix, Matrix, Matrix>(SpinAdapted::StackMatrix const&, char, Matrix const&, char, Matrix&, double, double)': /home/defanet/chemlib/StackBlock/MatrixBLAS.h:264: undefined reference to dgemm' /usr/bin/ld: stackguesswavefunction.o: in function void SpinAdapted::MatrixMultiply<Matrix, Matrix, SpinAdapted::StackMatrix>(Matrix const&, char, Matrix const&, char, SpinAdapted::StackMatrix&, double, double)': /home/defanet/chemlib/StackBlock/MatrixBLAS.h:264: undefined reference to dgemm' /usr/bin/ld: stackguess_wavefunction.o: in function DSCAL(int, double, double, int)': /home/defanet/chemlib/StackBlock/blascalls.h:379: undefined reference to dscal' /usr/bin/ld: stackguesswavefunction.o: in function void SpinAdapted::MatrixMultiply<Matrix, SpinAdapted::StackMatrix, SpinAdapted::StackMatrix>(Matrix const&, char, SpinAdapted::StackMatrix const&, char, SpinAdapted::StackMatrix&, double, double)': /home/defanet/chemlib/StackBlock/MatrixBLAS.h:294: undefined reference to dgemm' /usr/bin/ld: /home/defanet/chemlib/StackBlock/MatrixBLAS.h:284: undefined reference to dgemm_' /usr/bin/ld: Stackwavefunction.o: in function DCOPY(int, double, int, double, int)': /home/defanet/chemlib/StackBlock/blascalls.h:191: undefined reference to dcopy' /usr/bin/ld: Stackwavefunction.o: in function DAXPY(int, double, double, int, double, int)': /home/defanet/chemlib/StackBlock/blascalls.h:165: undefined reference to daxpy' /usr/bin/ld: Stackwavefunction.o: in function DCOPY(int, double, int, double, int)': /home/defanet/chemlib/StackBlock/blascalls.h:191: undefined reference to dcopy' /usr/bin/ld: Stackdensity.o: in function DAXPY(int, double, double, int, double, int)': /home/defanet/chemlib/StackBlock/blascalls.h:165: undefined reference to daxpy' /usr/bin/ld: Stackdensity.o: in function DCOPY(int, double, int, double, int)': /home/defanet/chemlib/StackBlock/blascalls.h:191: undefined reference to dcopy' /usr/bin/ld: Stackdensity.o: in function DAXPY(int, double, double, int, double, int)': /home/defanet/chemlib/StackBlock/blascalls.h:165: undefined reference to daxpy' /usr/bin/ld: /home/defanet/chemlib/StackBlock/blascalls.h:165: undefined reference to daxpy' /usr/bin/ld: Stackdensity.o: in function DCOPY(int, double, int, double, int)': /home/defanet/chemlib/StackBlock/blascalls.h:191: undefined reference to dcopy' /usr/bin/ld: Stackdensity.o: in function DAXPY(int, double, double, int, double, int)': /home/defanet/chemlib/StackBlock/blascalls.h:165: undefined reference to daxpy' /usr/bin/ld: Stackdensity.o: in function DCOPY(int, double, int, double, int)': /home/defanet/chemlib/StackBlock/blascalls.h:191: undefined reference to dcopy' /usr/bin/ld: Stackdensity.o: in function DAXPY(int, double, double, int, double, int)': /home/defanet/chemlib/StackBlock/blascalls.h:165: undefined reference to daxpy' /usr/bin/ld: stackopxop.o: in function void SpinAdapted::MatrixMultiply<SpinAdapted::StackMatrix, SpinAdapted::StackMatrix, SpinAdapted::StackMatrix>(SpinAdapted::StackMatrix const&, char, SpinAdapted::StackMatrix const&, char, SpinAdapted::StackMatrix&, double, double)': /home/defanet/chemlib/StackBlock/MatrixBLAS.h:294: undefined reference to dgemm' /usr/bin/ld: /home/defanet/chemlib/StackBlock/MatrixBLAS.h:284: undefined reference to dgemm' /usr/bin/ld: StackBaseOperator.o: in function DDOT(int, double, int, double, int)': /home/defanet/chemlib/StackBlock/blascalls.h:219: undefined reference to ddot' /usr/bin/ld: StackBaseOperator.o: in function DSCAL(int, double, double, int)': /home/defanet/chemlib/StackBlock/blascalls.h:379: undefined reference to dscal' /usr/bin/ld: StackBaseOperator.o: in function DCOPY(int, double, int, double, int)': /home/defanet/chemlib/StackBlock/blascalls.h:191: undefined reference to dcopy' /usr/bin/ld: /home/defanet/chemlib/StackBlock/blascalls.h:191: undefined reference to dcopy' /usr/bin/ld: /home/defanet/chemlib/StackBlock/blascalls.h:191: undefined reference to dcopy' /usr/bin/ld: /home/defanet/chemlib/StackBlock/blascalls.h:191: undefined reference to dcopy' /usr/bin/ld: /home/defanet/chemlib/StackBlock/blascalls.h:191: undefined reference to dcopy' /usr/bin/ld: StackBaseOperator.o: in function DAXPY(int, double, double, int, double, int)': /home/defanet/chemlib/StackBlock/blascalls.h:165: undefined reference to daxpy' /usr/bin/ld: StackOperators.o: in function DAXPY(int, double, double, int, double, int)': /home/defanet/chemlib/StackBlock/blascalls.h:165: undefined reference to daxpy' /usr/bin/ld: /home/defanet/chemlib/StackBlock/blascalls.h:165: undefined reference to daxpy' /usr/bin/ld: /home/defanet/chemlib/StackBlock/blascalls.h:165: undefined reference to daxpy' /usr/bin/ld: /home/defanet/chemlib/StackBlock/blascalls.h:165: undefined reference to daxpy' /usr/bin/ld: modules/ResponseTheory/sweepResponse.o: in function DCOPY(int, double, int, double, int)': /home/defanet/chemlib/StackBlock/./blascalls.h:191: undefined reference to dcopy' /usr/bin/ld: modules/ResponseTheory/sweepResponse.o: in function DSCAL(int, double, double, int)': /home/defanet/chemlib/StackBlock/./blascalls.h:379: undefined reference to dscal' /usr/bin/ld: modules/ResponseTheory/sweepCompress.o: in function DCOPY(int, double, int, double, int)': /home/defanet/chemlib/StackBlock/./blascalls.h:191: undefined reference to dcopy' /usr/bin/ld: /home/defanet/chemlib/StackBlock/./blascalls.h:191: undefined reference to dcopy' /usr/bin/ld: modules/ResponseTheory/sweepCompress.o: in function DAXPY(int, double, double, int, double, int)': /home/defanet/chemlib/StackBlock/./blascalls.h:165: undefined reference to daxpy' /usr/bin/ld: modules/ResponseTheory/sweepCompress.o: in function DCOPY(int, double, int, double, int)': /home/defanet/chemlib/StackBlock/./blascalls.h:191: undefined reference to dcopy' /usr/bin/ld: /home/defanet/chemlib/StackBlock/./blascalls.h:191: undefined reference to dcopy' /usr/bin/ld: /home/defanet/chemlib/StackBlock/./blascalls.h:191: undefined reference to dcopy' /usr/bin/ld: dmrg.o: in function boost::interprocess::shared_memory_object::priv_open_or_create(boost::interprocess::ipcdetail::create_enum_t, char const, boost::interprocess::mode_t, boost::interprocess::permissions const&)': /usr/include/boost/interprocess/shared_memory_object.hpp:333: undefined reference to shm_open' /usr/bin/ld: /usr/include/boost/interprocess/shared_memory_object.hpp:340: undefined reference to shm_open' /usr/bin/ld: linear.o: in function DCOPY(int, double, int, double, int)': /home/defanet/chemlib/StackBlock/blascalls.h:191: undefined reference to dcopy' /usr/bin/ld: /home/defanet/chemlib/StackBlock/blascalls.h:191: undefined reference to dcopy' /usr/bin/ld: /home/defanet/chemlib/StackBlock/blascalls.h:191: undefined reference to dcopy' /usr/bin/ld: /home/defanet/chemlib/StackBlock/blascalls.h:191: undefined reference to dcopy' /usr/bin/ld: MatrixBLAS.o: in function DDOT(int, double, int, double, int)': /home/defanet/chemlib/StackBlock/blascalls.h:219: undefined reference to ddot' /usr/bin/ld: /home/defanet/chemlib/StackBlock/blascalls.h:219: undefined reference to ddot' /usr/bin/ld: /home/defanet/chemlib/StackBlock/blascalls.h:219: undefined reference to ddot' /usr/bin/ld: MatrixBLAS.o: in function GESV(int, int, double, int, int, double, int, int)': /home/defanet/chemlib/StackBlock/blascalls.h:333: undefined reference to dgesv' /usr/bin/ld: /home/defanet/chemlib/StackBlock/blascalls.h:333: undefined reference to dgesv' /usr/bin/ld: MatrixBLAS.o: in function DGESVD(char, char, int, int, double, int, double, double, int, double, int, double, int, int)': /home/defanet/chemlib/StackBlock/blascalls.h:358: undefined reference to dgesvd' /usr/bin/ld: /home/defanet/chemlib/StackBlock/blascalls.h:358: undefined reference to dgesvd' /usr/bin/ld: MatrixBLAS.o: in function DSTEV(char, int, double, double, double, int, double, int)': /home/defanet/chemlib/StackBlock/blascalls.h:324: undefined reference to dstev' /usr/bin/ld: MatrixBLAS.o: in function DSYEV(char, char, int, double, int, double, double, int, int)': /home/defanet/chemlib/StackBlock/blascalls.h:315: undefined reference to dsyev' /usr/bin/ld: /home/defanet/chemlib/StackBlock/blascalls.h:315: undefined reference to dsyev' /usr/bin/ld: MatrixBLAS.o: in function DCOPY(int, double, int, double, int)': /home/defanet/chemlib/StackBlock/blascalls.h:191: undefined reference to dcopy' /usr/bin/ld: MatrixBLAS.o: in function DSYEV(char, char, int, double, int, double, double, int, int)': /home/defanet/chemlib/StackBlock/blascalls.h:315: undefined reference to dsyev' /usr/bin/ld: /home/defanet/chemlib/StackBlock/blascalls.h:315: undefined reference to dsyev' /usr/bin/ld: MatrixBLAS.o: in function DCOPY(int, double, int, double, int)': /home/defanet/chemlib/StackBlock/blascalls.h:191: undefined reference to dcopy' /usr/bin/ld: /home/defanet/chemlib/StackBlock/blascalls.h:191: undefined reference to dcopy' /usr/bin/ld: /home/defanet/chemlib/StackBlock/blascalls.h:191: undefined reference to dcopy' /usr/bin/ld: /home/defanet/chemlib/StackBlock/blascalls.h:191: undefined reference to dcopy' /usr/bin/ld: /home/defanet/chemlib/StackBlock/blascalls.h:191: undefined reference to dcopy' /usr/bin/ld: MatrixBLAS.o:/home/defanet/chemlib/StackBlock/blascalls.h:191: more undefined references to dcopy' follow /usr/bin/ld: operatorfunctions.o: in function DAXPY(int, double, double, int, double, int)': /home/defanet/chemlib/StackBlock/blascalls.h:165: undefined reference to daxpy' /usr/bin/ld: /home/defanet/chemlib/StackBlock/blascalls.h:165: undefined reference to daxpy' /usr/bin/ld: /home/defanet/chemlib/StackBlock/blascalls.h:165: undefined reference to daxpy' /usr/bin/ld: /home/defanet/chemlib/StackBlock/blascalls.h:165: undefined reference to daxpy' /usr/bin/ld: /home/defanet/chemlib/StackBlock/blascalls.h:165: undefined reference to daxpy' /usr/bin/ld: operatorfunctions.o:/home/defanet/chemlib/StackBlock/blascalls.h:165: more undefined references to daxpy' follow /usr/bin/ld: operatorfunctions.o: in function DDOT(int, double, int, double, int)': /home/defanet/chemlib/StackBlock/blascalls.h:219: undefined reference to ddot' /usr/bin/ld: solver.o: in function SpinAdapted::Solver::solvewavefunction(std::vector<SpinAdapted::StackWavefunction, std::allocator >&, std::vector<double, std::allocator >&, SpinAdapted::StackSpinBlock&, double, SpinAdapted::guessWaveTypes const&, bool const&, bool const&, bool const&, bool const&, double, int, std::vector<SpinAdapted::StackWavefunction, std::allocator >&)': /home/defanet/chemlib/StackBlock/solver.C:75: undefined reference to idamax' /usr/bin/ld: rotationmat.o: in function void SpinAdapted::MatrixMultiply<SpinAdapted::StackMatrix, SpinAdapted::StackMatrix, SpinAdapted::StackMatrix>(SpinAdapted::StackMatrix const&, char, SpinAdapted::StackMatrix const&, char, SpinAdapted::StackMatrix&, double, double)': /home/defanet/chemlib/StackBlock/MatrixBLAS.h:274: undefined reference to dgemm_' /usr/bin/ld: renormalise.o: in function DCOPY(int, double, int, double, int)': /home/defanet/chemlib/StackBlock/blascalls.h:191: undefined reference to dcopy' /usr/bin/ld: /home/defanet/chemlib/StackBlock/blascalls.h:191: undefined reference to dcopy' /usr/bin/ld: include/IntegralMatrix.o: in function SpinAdapted::OneElectronArray::ReadFromDumpFile(std::basic_ifstream<char, std::chartraits >&, int)': /home/defanet/chemlib/StackBlock/include/IntegralMatrix.C:174: undefined reference to dgemm' /usr/bin/ld: /home/defanet/chemlib/StackBlock/include/IntegralMatrix.C:175: undefined reference to dgemm_' /usr/bin/ld: modules/npdm/npdm_expectations.o: in function DDOT(int, double, int, double, int)': /home/defanet/chemlib/StackBlock/./blascalls.h:219: undefined reference to ddot' /usr/bin/ld: modules/npdm/npdm_expectations_engine.o: in function DDOT(int, double, int, double, int)': /home/defanet/chemlib/StackBlock/./blascalls.h:219: undefined reference to ddot' /usr/bin/ld: modules/mps_nevpt/type1.o: in function DAXPY(int, double, double, int, double*, int)': /home/defanet/chemlib/StackBlock/./blascalls.h:165: undefined reference to daxpy' /usr/bin/ld: /home/defanet/chemlib/StackBlock/./blascalls.h:165: undefined reference to daxpy' /usr/bin/ld: modules/mps_nevpt/type1.o: in function DCOPY(int, double, int, double, int)': /home/defanet/chemlib/StackBlock/./blascalls.h:191: undefined reference to `dcopy' collect2: error: ld returned 1 exit status make: ** [Makefile:239: block.spin_adapted] Error 1

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[defanet]

I have modified Makefile to link blas and lapack LAPACKBLAS = -L/usr/lib/x86_64-linux-gnu -lblas -llapack then another error show:

g++ -I. -I./include/ -I./ -I./newmat10/ -I/usr/include -I. -I./modules/generate_blocks/ -I./modules/onepdm -I./modules/twopdm/ -I./modules/npdm -I./modules/two_index_ops -I./modules/three_index_ops -I./modules/four_index_ops -std=c++0x -I./modules/ResponseTheory -I./modules/nevpt2 -I./molcas -I./modules/mps_nevpt -DNDEBUG -O2 -g -funroll-loops -Werror -Wno-error=unused-result -Wno-error=deprecated-declarations -fdiagnostics-color=always -DBLAS -DUSELAPACK -DSERIAL -DBOOST_1_56_0 -DFAST_MTP -D_HAS_CBLAS -o block.spin_adapted saveBlock.o Stackspinblock.o operatorUtilities.o Stack_op_components.o stackguess_wavefunction.o Stackwavefunction.o Stackdensity.o stackopxop.o StackBaseOperator.o StackOperators.o modules/ResponseTheory/sweepResponse.o modules/ResponseTheory/sweepCompress.o pario.o dmrg.o fiedler.o least_squares.o sweep_mps.o set_stackspinblock_components.o linear.o main.o readinput.o timer.o SpinQuantum.o Symmetry.o input.o hfOccGenerator.o Schedule.o orbstring.o slater.o csf.o StateInfo.o screen.o MatrixBLAS.o operatorfunctions.o solver.o davidson.o sweep_params.o sweep.o partial_sweep.o BlockAndDecimate.o initblocks.o rotationmat.o renormalise.o couplingCoeffs.o distribute.o new_anglib.o fci.o IrrepSpace.o modules/generate_blocks/sweep.o genetic/CrossOver.o genetic/Evaluate.o genetic/GAInput.o genetic/GAOptimize.o genetic/Generation.o genetic/Mutation.o genetic/RandomGenerator.o genetic/ReadIntegral.o SpinSpace.o include/IntegralMatrix.o modules/onepdm/sweep.o modules/onepdm/onepdm.o modules/npdm/npdm.o modules/npdm/npdm_driver.o modules/npdm/npdm_patterns.o modules/npdm/npdm_expectations.o modules/npdm/npdm_expectations_engine.o modules/npdm/npdm_permutations.o modules/npdm/npdm_spin_adaptation.o modules/npdm/npdm_operator_selector.o modules/npdm/npdm_spin_ops.o modules/npdm/onepdm_container.o modules/npdm/twopdm_container.o modules/npdm/threepdm_container.o modules/npdm/fourpdm_container.o modules/two_index_ops/two_index_wrappers.o modules/three_index_ops/three_index_wrappers.o modules/four_index_ops/four_index_wrappers.o modules/three_index_ops/three_index_compound_ops.o modules/four_index_ops/four_index_compound_ops.o modules/three_index_ops/three_index_op_components.o modules/four_index_ops/four_index_op_components.o modules/three_index_ops/three_index_ops.o modules/four_index_ops/four_index_ops.o modules/three_index_ops/build_3index_ops.o modules/four_index_ops/build_4index_ops.o modules/npdm/pairpdm_container.o modules/npdm/nevpt2_npdm_driver.o modules/npdm/nevpt2_container.o modules/npdm/externalsort.o modules/three_index_ops/build_3index_singleoperator.o modules/npdm/npdm_driver_2.o modules/mps_nevpt/nevpt_op_component.o modules/mps_nevpt/type1.o modules/mps_nevpt/mps_nevpt.o fciqmchelper.o -L./newmat10/ -lnewmat -L/usr/lib/lib -lboost_system -lboost_filesystem -lboost_serialization -L/usr/lib/x86_64-linux-gnu -lblas -llapack /usr/bin/ld: dmrg.o: in function boost::interprocess::shared_memory_object::priv_open_or_create(boost::interprocess::ipcdetail::create_enum_t, char const*, boost::interprocess::mode_t, boost::interprocess::permissions const&)': /usr/include/boost/interprocess/shared_memory_object.hpp:333: undefined reference toshm_open' /usr/bin/ld: /usr/include/boost/interprocess/shared_memory_object.hpp:340: undefined reference to `shm_open' collect2: error: ld returned 1 exit status make: *** [Makefile:239: block.spin_adapted] Error 1

[bogdanoff]

Adding -lrt at the end of your LAPACKBLAS string should fix it.

[defanet]

Wow perfect, all work, now I got block.spin_adapted file :)) Thank you very much for your help