mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c openmx.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c openmx_common.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Input_std.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Inputtools.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c init.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c LU_inverse.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c ReLU_inverse.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c truncation.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c readfile.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c FT_PAO.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c FT_NLP.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c FT_ProExpn_VNA.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c FT_VNA.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c FT_ProductPAO.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Hamiltonian_Cluster.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Hamiltonian_Cluster_Hs.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Hamiltonian_Cluster_NC_Hs2.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Hamiltonian_Band_NC_Hs2.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Overlap_Cluster_NC_Ss2.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Overlap_Band_NC_Ss2.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Overlap_Cluster.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Overlap_Cluster_Ss.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Set_ContMat_Cluster_LNO.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Hamiltonian_Band.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Matrix_Band_LNO.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Overlap_Band.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Hamiltonian_Cluster_NC.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Hamiltonian_Band_NC.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Hamiltonian_Cluster_SO.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Get_OneD_HS_Col.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c SetPara_DFT.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c XC_Ceperly_Alder.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c XC_CA_LSDA.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c XC_PW92C.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c XC_PBE.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c XC_EX.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c DFT.c DFT.c: In function ‘DFT’: DFT.c:1960:7: warning: implicit declaration of function ‘strstr’ [-Wimplicit-function-declaration] 1960 | if (strstr(nanchar,"nan")!=NULL || strstr(nanchar,"NaN")!=NULL | ^~~~~~ DFT.c:21:1: note: include ‘’ or provide a declaration of ‘strstr’ 20 | #include "tran_prototypes.h" +++ |+#include 21 | DFT.c:1960:7: warning: incompatible implicit declaration of built-in function ‘strstr’ [-Wbuiltin-declaration-mismatch] 1960 | if (strstr(nanchar,"nan")!=NULL || strstr(nanchar,"NaN")!=NULL | ^~~~~~ DFT.c:1960:7: note: include ‘’ or provide a declaration of ‘strstr’ DFT.c:1975:7: warning: incompatible implicit declaration of built-in function ‘strstr’ [-Wbuiltin-declaration-mismatch] 1975 | if (strstr(nanchar,"nan")!=NULL || strstr(nanchar,"NaN")!=NULL | ^~~~~~ DFT.c:1975:7: note: include ‘’ or provide a declaration of ‘strstr’ DFT.c: In function ‘Allocate_Free_Band_Col’: DFT.c:2522:15: warning: implicit declaration of function ‘numroc_’ [-Wimplicit-function-declaration] 2522 | na_rows = numroc_(&n, &nblk, &my_prow, &ZERO, &np_rows); | ^~~~~~~ DFT.c:2525:16: warning: implicit declaration of function ‘Csys2blacs_handle’ [-Wimplicit-function-declaration] 2525 | bhandle2 = Csys2blacs_handle(MPI_CommWD2[myworld2]); | ^~~~~~~~~~~~~~~~~ DFT.c:2527:5: warning: implicit declaration of function ‘Cblacs_gridinit’ [-Wimplicit-function-declaration] 2527 | Cblacs_gridinit(&ictxt2, "Row", np_rows, np_cols); | ^~~~~~~~~~~~~~~ DFT.c:2536:5: warning: implicit declaration of function ‘descinit_’ [-Wimplicit-function-declaration] 2536 | descinit_(descS, &n, &n, &nblk, &nblk, &ZERO, &ZERO, &ictxt2, &na_rows, &info); | ^~~~~~~~~ DFT.c:2694:5: warning: implicit declaration of function ‘Cfree_blacs_system_handle’ [-Wimplicit-function-declaration] 2694 | Cfree_blacs_system_handle(bhandle2); | ^~~~~~~~~~~~~~~~~~~~~~~~~ DFT.c:2695:5: warning: implicit declaration of function ‘Cblacs_gridexit’ [-Wimplicit-function-declaration] 2695 | Cblacs_gridexit(ictxt2); | ^~~~~~~~~~~~~~~ mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Mixing_DM.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Mixing_H.c In file included from openmx_common.h:120, from Mixing_H.c:6: Mixing_H.c: In function ‘Inverse’: Mixing_H.c:2940:14: warning: implicit declaration of function ‘dgetrf_’ [-Wimplicit-function-declaration] 2940 | F77_NAME(dgetrf,DGETRF)( &M, &N, A, &LDA, IPIV, &INFO); | ^~~~~~ f77func.h:63:27: note: in definition of macro ‘F77_NAME’ 63 | #define F77_NAME(a,A) a ## _ | ^ Mixing_H.c:2941:14: warning: implicit declaration of function ‘dgetri_’ [-Wimplicit-function-declaration] 2941 | F77_NAME(dgetri,DGETRI)( &N, A, &LDA, IPIV, WORK, &LWORK, &INFO); | ^~~~~~ f77func.h:63:27: note: in definition of macro ‘F77_NAME’ 63 | #define F77_NAME(a,A) a ## _ | ^ mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Mixing_V.c In file included from openmx_common.h:120, from Mixing_V.c:6: Mixing_V.c: In function ‘DIIS_Mixing_VKSk’: Mixing_V.c:313:16: warning: implicit declaration of function ‘dgemm_’ [-Wimplicit-function-declaration] 313 | F77_NAME(dgemm,DGEMM)( "T","N", &M, &N, &K, | ^~~~~ f77func.h:63:27: note: in definition of macro ‘F77_NAME’ 63 | #define F77_NAME(a,A) a ## _ | ^ Mixing_V.c:417:17: warning: implicit declaration of function ‘omp_get_thread_num’ [-Wimplicit-function-declaration] 417 | OMPID = omp_get_thread_num(); | ^~~~~~~~~~~~~~~~~~ Mixing_V.c:418:18: warning: implicit declaration of function ‘omp_get_num_threads’ [-Wimplicit-function-declaration] 418 | Nthrds = omp_get_num_threads(); | ^~~~~~~~~~~~~~~~~~~ Mixing_V.c: In function ‘Inverse’: Mixing_V.c:1267:14: warning: implicit declaration of function ‘dgetrf_’ [-Wimplicit-function-declaration] 1267 | F77_NAME(dgetrf,DGETRF)( &M, &N, A, &LDA, IPIV, &INFO); | ^~~~~~ f77func.h:63:27: note: in definition of macro ‘F77_NAME’ 63 | #define F77_NAME(a,A) a ## _ | ^ Mixing_V.c:1268:14: warning: implicit declaration of function ‘dgetri_’ [-Wimplicit-function-declaration] 1268 | F77_NAME(dgetri,DGETRI)( &N, A, &LDA, IPIV, WORK, &LWORK, &INFO); | ^~~~~~ f77func.h:63:27: note: in definition of macro ‘F77_NAME’ 63 | #define F77_NAME(a,A) a ## _ | ^ mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Force.c Force.c: In function ‘dHCH’: Force.c:9069:19: warning: implicit declaration of function ‘strcmp’ [-Wimplicit-function-declaration] 9069 | if ((strcmp(Core_Hole_Orbital,"s")==0) && l==0 && mul==0) { | ^~~~~~ Force.c:20:1: note: include ‘’ or provide a declaration of ‘strcmp’ 19 | #include +++ |+#include 20 | mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Stress.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Poisson.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Poisson_ESM.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Cluster_DFT_Col.c In file included from openmx_common.h:120, from Cluster_DFT_Col.c:17: Cluster_DFT_Col.c: In function ‘Cluster_DFT_Col’: Cluster_DFT_Col.c:295:16: warning: implicit declaration of function ‘solve_evp_real_’ [-Wimplicit-function-declaration] 295 | F77_NAME(solve_evp_real,SOLVE_EVP_REAL)(&n, &n, Cs, &na_rows, &ko[0][1], Ss, &na_rows, &nblk, &mpi_comm_rows_int, &mpi_comm_cols_int); | ^~~~~~~~~~~~~~ f77func.h:63:27: note: in definition of macro ‘F77_NAME’ 63 | #define F77_NAME(a,A) a ## _ | ^ Cluster_DFT_Col.c:500:3: warning: implicit declaration of function ‘Cblacs_barrier’ [-Wimplicit-function-declaration] 500 | Cblacs_barrier(ictxt1,"A"); | ^~~~~~~~~~~~~~ Cluster_DFT_Col.c:501:12: warning: implicit declaration of function ‘pdgemm_’ [-Wimplicit-function-declaration] 501 | F77_NAME(pdgemm,PDGEMM)("N","N",&n,&n,&n,&alpha,Hs,&ONE,&ONE,descH,Ss,&ONE,&ONE,descS,&beta,Cs,&ONE,&ONE,descC); | ^~~~~~ f77func.h:63:27: note: in definition of macro ‘F77_NAME’ 63 | #define F77_NAME(a,A) a ## _ | ^ Cluster_DFT_Col.c: In function ‘Lapack_LU_Dinverse’: Cluster_DFT_Col.c:2970:14: warning: implicit declaration of function ‘dgetrf_’ [-Wimplicit-function-declaration] 2970 | F77_NAME(dgetrf,DGETRF)(&n,&n,A,&n,ipiv,&info); | ^~~~~~ f77func.h:63:27: note: in definition of macro ‘F77_NAME’ 63 | #define F77_NAME(a,A) a ## _ | ^ Cluster_DFT_Col.c:3001:14: warning: implicit declaration of function ‘dgetri_’ [-Wimplicit-function-declaration] 3001 | F77_NAME(dgetri,DGETRI)(&n, A, &n, ipiv, work, &lwork, &info); | ^~~~~~ f77func.h:63:27: note: in definition of macro ‘F77_NAME’ 63 | #define F77_NAME(a,A) a ## _ | ^ mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Cluster_DFT_NonCol.c In file included from openmx_common.h:120, from Cluster_DFT_NonCol.c:18: Cluster_DFT_NonCol.c: In function ‘Cluster_DFT_NonCol’: Cluster_DFT_NonCol.c:328:16: warning: implicit declaration of function ‘solve_evp_real_’ [-Wimplicit-function-declaration] 328 | F77_NAME(solve_evp_real,SOLVE_EVP_REAL)( &n, &n, Cs, &na_rows, &ko[1], Ss, &na_rows, &nblk, | ^~~~~~~~~~~~~~ f77func.h:63:27: note: in definition of macro ‘F77_NAME’ 63 | #define F77_NAME(a,A) a ## _ | ^ Cluster_DFT_NonCol.c:424:3: warning: implicit declaration of function ‘Cblacs_barrier’ [-Wimplicit-function-declaration] 424 | Cblacs_barrier(ictxt1,"A"); | ^~~~~~~~~~~~~~ Cluster_DFT_NonCol.c:425:12: warning: implicit declaration of function ‘pdgemm_’ [-Wimplicit-function-declaration] 425 | F77_NAME(pdgemm,PDGEMM)("N","N",&n,&n,&n,&alpha,rHs11,&ONE,&ONE,descH,Ss,&ONE,&ONE,descS,&beta,Cs,&ONE,&ONE,descC); | ^~~~~~ f77func.h:63:27: note: in definition of macro ‘F77_NAME’ 63 | #define F77_NAME(a,A) a ## _ | ^ Cluster_DFT_NonCol.c:512:14: warning: implicit declaration of function ‘solve_evp_complex_’ [-Wimplicit-function-declaration] 512 | F77_NAME(solve_evp_complex,SOLVE_EVP_COMPLEX)( &n2, &MaxN, Hs2, &na_rows2, &ko[1], Cs2, &na_rows2, | ^~~~~~~~~~~~~~~~~ f77func.h:63:27: note: in definition of macro ‘F77_NAME’ 63 | #define F77_NAME(a,A) a ## _ | ^ Cluster_DFT_NonCol.c:556:12: warning: implicit declaration of function ‘pzgemm_’ [-Wimplicit-function-declaration] 556 | F77_NAME(pzgemm,PZGEMM)("T","T",&n2,&n2,&n2,&alpha,Cs2,&ONE,&ONE,descC2,Ss2,&ONE,&ONE,descS2,&beta,Hs2,&ONE,&ONE,descH2); | ^~~~~~ f77func.h:63:27: note: in definition of macro ‘F77_NAME’ 63 | #define F77_NAME(a,A) a ## _ | ^ Cluster_DFT_NonCol.c: In function ‘Lapack_LU_Zinverse’: Cluster_DFT_NonCol.c:2740:14: warning: implicit declaration of function ‘zgetrf_’ [-Wimplicit-function-declaration] 2740 | F77_NAME(zgetrf,ZGETRF)(&n,&n,A,&n,ipiv,&info); | ^~~~~~ f77func.h:63:27: note: in definition of macro ‘F77_NAME’ 63 | #define F77_NAME(a,A) a ## _ | ^ Cluster_DFT_NonCol.c:2772:14: warning: implicit declaration of function ‘zgetri_’ [-Wimplicit-function-declaration] 2772 | F77_NAME(zgetri,ZGETRI)(&n, A, &n, ipiv, work, &lwork, &info); | ^~~~~~ f77func.h:63:27: note: in definition of macro ‘F77_NAME’ 63 | #define F77_NAME(a,A) a ## _ | ^ mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Cluster_DFT_Dosout.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Cluster_DFT_ON2.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Cluster_DFT_LNO.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Band_DFT_Col.c In file included from openmx_common.h:120, from Band_DFT_Col.c:18: Band_DFT_Col.c: In function ‘Band_DFT_Col’: Band_DFT_Col.c:760:18: warning: implicit declaration of function ‘solve_evp_complex_’ [-Wimplicit-function-declaration] 760 | F77_NAME(solve_evp_complex,SOLVE_EVP_COMPLEX) | ^~~~~~~~~~~~~~~~~ f77func.h:63:27: note: in definition of macro ‘F77_NAME’ 63 | #define F77_NAME(a,A) a ## _ | ^ Band_DFT_Col.c:830:5: warning: implicit declaration of function ‘Cblacs_barrier’ [-Wimplicit-function-declaration] 830 | Cblacs_barrier(ictxt2,"A"); | ^~~~~~~~~~~~~~ Band_DFT_Col.c:831:14: warning: implicit declaration of function ‘pzgemm_’; did you mean ‘zgemm_’? [-Wimplicit-function-declaration] 831 | F77_NAME(pzgemm,PZGEMM)("N","N",&n,&n,&n,&alpha,Hs,&ONE,&ONE,descH,Ss,&ONE,&ONE,descS,&beta,Cs,&ONE,&ONE,descC); | ^~~~~~ f77func.h:63:27: note: in definition of macro ‘F77_NAME’ 63 | #define F77_NAME(a,A) a ## _ | ^ mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Band_DFT_NonCol.c In file included from openmx_common.h:120, from Band_DFT_NonCol.c:18: Band_DFT_NonCol.c: In function ‘Band_DFT_NonCol’: Band_DFT_NonCol.c:678:20: warning: implicit declaration of function ‘solve_evp_complex_’ [-Wimplicit-function-declaration] 678 | F77_NAME(solve_evp_complex,SOLVE_EVP_COMPLEX) | ^~~~~~~~~~~~~~~~~ f77func.h:63:27: note: in definition of macro ‘F77_NAME’ 63 | #define F77_NAME(a,A) a ## _ | ^ Band_DFT_NonCol.c:813:7: warning: implicit declaration of function ‘Cblacs_barrier’ [-Wimplicit-function-declaration] 813 | Cblacs_barrier(ictxt1,"A"); | ^~~~~~~~~~~~~~ Band_DFT_NonCol.c:814:16: warning: implicit declaration of function ‘pzgemm_’; did you mean ‘zgemm_’? [-Wimplicit-function-declaration] 814 | F77_NAME(pzgemm,PZGEMM)("N","N",&n,&n,&n,&alpha,rHs11,&ONE,&ONE,descH,Ss,&ONE,&ONE,descS,&beta,Cs,&ONE,&ONE,descC); | ^~~~~~ f77func.h:63:27: note: in definition of macro ‘F77_NAME’ 63 | #define F77_NAME(a,A) a ## _ | ^ mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Band_DFT_NonCol_GB.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Band_DFT_kpath.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Band_DFT_kpath_LNO.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Band_DFT_MO.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Unfolding_Bands.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Band_DFT_Dosout.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Set_Density_Grid.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Set_Orbitals_Grid.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Set_Aden_Grid.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Gauss_Legendre.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c zero_cfrac.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c xyz2spherical.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c AngularF.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c RadialF.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Dr_RadialF.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c PhiF.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c VNAF.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Dr_VNAF.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c VH_AtomF.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Dr_VH_AtomF.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c RF_BesselF.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c QuickSort.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Nonlocal_RadialF.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c KumoF.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Dr_KumoF.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Mulliken_Charge.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Occupation_Number_LDA_U.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Eff_Hub_Pot.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Coulomb_Interaction.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c EulerAngle_Spin.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Smoothing_Func.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Orbital_Moment.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Pot_NeutralAtom.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Simple_Mixing_DM.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c DIIS_Mixing_DM.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c ADIIS_Mixing_DM.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c GR_Pulay_DM.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Kerker_Mixing_Rhok.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c DIIS_Mixing_Rhok.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Total_Energy.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Contract_Hamiltonian.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Contract_iHNL.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Cont_Matrix0.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Cont_Matrix1.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Cont_Matrix2.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Cont_Matrix3.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Cont_Matrix4.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Opt_Contraction.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Initial_CntCoes.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Initial_CntCoes2.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Set_XC_Grid.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Set_XC_NL1_Grid.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Get_Orbitals.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Get_dOrbitals.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Get_Cnt_Orbitals.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Get_Cnt_dOrbitals.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Gaunt.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Find_CGrids.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c MD_pac.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c RestartFileDFT.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Output_CompTime.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Merge_LogFile.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Make_FracCoord.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Make_InputFile_with_FinalCoord.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Output_Energy_Decomposition.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Divide_Conquer.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Divide_Conquer_LNO.c Divide_Conquer_LNO.c: In function ‘DC_Col’: Divide_Conquer_LNO.c:1261:9: warning: implicit declaration of function ‘Eigen_lapack_d’; did you mean ‘Eigen_lapack3’? [-Wimplicit-function-declaration] 1261 | Eigen_lapack_d(C, ko, NUM, NUM); | ^~~~~~~~~~~~~~ | Eigen_lapack3 In file included from openmx_common.h:120, from Divide_Conquer_LNO.c:19: Divide_Conquer_LNO.c:1309:16: warning: implicit declaration of function ‘dgemm_’ [-Wimplicit-function-declaration] 1309 | F77_NAME(dgemm,DGEMM)("N","N", &BM,&BN,&BK, | ^~~~~ f77func.h:63:27: note: in definition of macro ‘F77_NAME’ 63 | #define F77_NAME(a,A) a ## _ | ^ Divide_Conquer_LNO.c: In function ‘DC_NonCol’: Divide_Conquer_LNO.c:3768:16: warning: implicit declaration of function ‘zgemm_’ [-Wimplicit-function-declaration] 3768 | F77_NAME(zgemm,ZGEMM)("N","N", &BM,&BN,&BK, | ^~~~~ f77func.h:63:27: note: in definition of macro ‘F77_NAME’ 63 | #define F77_NAME(a,A) a ## _ | ^ mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Krylov.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Divide_Conquer_Dosout.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c EGAC_DFT.c In file included from openmx_common.h:120, from EGAC_DFT.c:18: EGAC_DFT.c: In function ‘Calc_GF’: EGAC_DFT.c:1067:18: warning: implicit declaration of function ‘zgemm_’ [-Wimplicit-function-declaration] 1067 | F77_NAME(zgemm,ZGEMM)("T","N",&M,&N,&K,&al,B,&LDA,GA,&LDB,&be,Mat,&LDC); | ^~~~~ f77func.h:63:27: note: in definition of macro ‘F77_NAME’ 63 | #define F77_NAME(a,A) a ## _ | ^ EGAC_DFT.c:1104:8: warning: implicit declaration of function ‘Lapack_LU_Zinverse’ [-Wimplicit-function-declaration] 1104 | Lapack_LU_Zinverse(dim_matD,Mat); | ^~~~~~~~~~~~~~~~~~ mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c LNO.c In file included from openmx_common.h:120, from LNO.c:18: LNO.c: In function ‘LNO_Col_Schur’: LNO.c:887:16: warning: implicit declaration of function ‘dgeesx_’; did you mean ‘dggevx_’? [-Wimplicit-function-declaration] 887 | F77_NAME(dgeesx,DGEESX)( JOBVS, SORT, myselect, SENSE, &N, B, &LDA, &SDIM, WR, WI, VS, &LDVS, | ^~~~~~ f77func.h:63:27: note: in definition of macro ‘F77_NAME’ 63 | #define F77_NAME(a,A) a ## _ | ^ mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Eigen_lapack.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Eigen_lapack2.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Eigen_lapack3.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c EigenBand_lapack.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Eigen_PReHH.c In file included from openmx_common.h:120, from Eigen_PReHH.c:19: Eigen_PReHH.c: In function ‘Eigen_ELPA1_Re’: Eigen_PReHH.c:381:12: warning: implicit declaration of function ‘solve_evp_real_’ [-Wimplicit-function-declaration] 381 | F77_NAME(solve_evp_real,SOLVE_EVP_REAL)(&na, &nev, a, &na_rows, &ko[1], z, &na_rows, &nblk, &mpi_comm_rows_int, &mpi_comm_cols_int); | ^~~~~~~~~~~~~~ f77func.h:63:27: note: in definition of macro ‘F77_NAME’ 63 | #define F77_NAME(a,A) a ## _ | ^ mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c BroadCast_ReMatrix.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Eigen_PHH.c In file included from openmx_common.h:120, from Eigen_PHH.c:17: Eigen_PHH.c: In function ‘Eigen_ELPA1_Co’: Eigen_PHH.c:371:12: warning: implicit declaration of function ‘solve_evp_complex_’ [-Wimplicit-function-declaration] 371 | F77_NAME(solve_evp_complex,SOLVE_EVP_COMPLEX)(&na, &nev, a, &na_rows, &ko[1], z, &na_rows, &nblk, &mpi_comm_rows_int, &mpi_comm_cols_int); | ^~~~~~~~~~~~~~~~~ f77func.h:63:27: note: in definition of macro ‘F77_NAME’ 63 | #define F77_NAME(a,A) a ## _ | ^ mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c BroadCast_ComplexMatrix.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c lapack_dstedc1.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c lapack_dstedc2.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c lapack_dstedc3.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c lapack_dstegr1.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c lapack_dstegr2.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c lapack_dstegr3.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c lapack_dstevx1.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c lapack_dstevx2.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c lapack_dstevx3.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c lapack_dstevx4.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c lapack_dstevx5.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c lapack_dsteqr1.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Nonlocal_Basis.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Set_OLP_Kin.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Set_Nonlocal.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Set_ProExpn_VNA.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Set_CoreHoleMatrix.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Set_OLP_p.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Set_Hamiltonian.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Set_Vpot.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Voronoi_Charge.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Voronoi_Orbital_Moment.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Fuzzy_Weight.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c dampingF.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c deri_dampingF.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Spherical_Bessel.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c iterout.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c iterout_md.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Allocate_Arrays.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Free_Arrays.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Init_List_YOUSO.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c outputfile1.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c malloc_multidimarray.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c PrintMemory.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c PrintMemory_Fix.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c dtime.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c OutData.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c OutData_Binary.c OutData_Binary.c: In function ‘Print_CubeData’: OutData_Binary.c:1574:3: warning: implicit declaration of function ‘fsync’ [-Wimplicit-function-declaration] 1574 | fsync(fd); | ^~~~~ mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c init_alloc_first.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c File_CntCoes.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c SCF2File.c SCF2File.c: In function ‘Output’: SCF2File.c:831:18: warning: comparison between pointer and zero character constant [-Wpointer-compare] 831 | if (inputfile=='\0') { | ^~ SCF2File.c:831:9: note: did you mean to dereference the pointer? 831 | if (inputfile=='\0') { | ^ mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c mimic_sse.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Make_Comm_Worlds.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Set_Allocate_Atom2CPU.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Cutoff.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Generating_MP_Special_Kpt.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Maketest.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Runtest.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Memory_Leak_test.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Force_test.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Stress_test.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Show_DFT_DATA.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Generate_Wannier.c Generate_Wannier.c: In function ‘Set_OLP_Projector_Basis’: Generate_Wannier.c:437:48: warning: argument 1 range [18446744039349813264, 18446744073709551600] exceeds maximum object size 9223372036854775807 [-Walloc-size-larger-than=] 437 | TmpOLP[i][j][k][l][m] = (dcomplex*)malloc(sizeof(dcomplex)*(2*(List_YOUSO[25]+1)+1)); | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ In file included from Generate_Wannier.c:14: /usr/include/stdlib.h:553:14: note: in a call to allocation function ‘malloc’ declared here 553 | extern void *malloc (size_t __size) __THROW __attribute_malloc__ | ^~~~~~ mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c TRAN_Allocate.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c TRAN_DFT.c TRAN_DFT.c: In function ‘TRAN_DFT’: TRAN_DFT.c:406:15: warning: implicit declaration of function ‘numroc_’ [-Wimplicit-function-declaration] 406 | na_rows = numroc_(&n, &nblk, &my_prow, &ZERO, &np_rows); | ^~~~~~~ TRAN_DFT.c:409:16: warning: implicit declaration of function ‘Csys2blacs_handle’ [-Wimplicit-function-declaration] 409 | bhandle2 = Csys2blacs_handle(MPI_CommWD2[myworld2]); | ^~~~~~~~~~~~~~~~~ TRAN_DFT.c:411:5: warning: implicit declaration of function ‘Cblacs_gridinit’ [-Wimplicit-function-declaration] 411 | Cblacs_gridinit(&ictxt2, "Row", np_rows, np_cols); | ^~~~~~~~~~~~~~~ TRAN_DFT.c:420:5: warning: implicit declaration of function ‘descinit_’ [-Wimplicit-function-declaration] 420 | descinit_(descS, &n, &n, &nblk, &nblk, &ZERO, &ZERO, &ictxt2, &na_rows, &info); | ^~~~~~~~~ TRAN_DFT.c:563:5: warning: implicit declaration of function ‘Cfree_blacs_system_handle’ [-Wimplicit-function-declaration] 563 | Cfree_blacs_system_handle(bhandle2); | ^~~~~~~~~~~~~~~~~~~~~~~~~ TRAN_DFT.c:564:5: warning: implicit declaration of function ‘Cblacs_gridexit’ [-Wimplicit-function-declaration] 564 | Cblacs_gridexit(ictxt2); | ^~~~~~~~~~~~~~~ mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c TRAN_DFT_Dosout.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c TRAN_Apply_Bias2e.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c TRAN_Deallocate_Electrode_Grid.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c TRAN_Deallocate_RestartFile.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c TRAN_RestartFile.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c TRAN_Calc_CentGreen.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c TRAN_Input_std.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c TRAN_Set_CentOverlap.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c TRAN_Calc_CentGreenLesser.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c TRAN_Input_std_Atoms.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c TRAN_Set_Electrode_Grid.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c TRAN_Calc_GridBound.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c TRAN_Set_IntegPath.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c TRAN_Output_HKS.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c TRAN_Set_MP.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c TRAN_Calc_SelfEnergy.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c TRAN_Output_Trans_HS.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c TRAN_Calc_Hopping_G.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c TRAN_Calc_SurfGreen.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c TRAN_Set_SurfOverlap.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c TRAN_Add_Density_Lead.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c TRAN_Add_ADensity_Lead.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c TRAN_Set_Value.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c TRAN_Poisson.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c TRAN_adjust_Ngrid.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c TRAN_Print.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c TRAN_Print_Grid.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c Lapack_LU_inverse.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c TRAN_Distribute_Node.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c TRAN_Output_HKS_Write_Grid.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c TRAN_Credit.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c TRAN_Check_Region_Lead.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c TRAN_Check_Region.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c TRAN_Check_Input.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c DFTDvdW_init.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c DFTD3vdW_init.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c neb.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c neb_run.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c neb_check.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c TRAN_Allocate_NC.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c TRAN_DFT_NC.c TRAN_DFT_NC.c: In function ‘TRAN_DFT_NC’: TRAN_DFT_NC.c:399:15: warning: implicit declaration of function ‘numroc_’ [-Wimplicit-function-declaration] 399 | na_rows = numroc_(&n, &nblk, &my_prow, &ZERO, &np_rows); | ^~~~~~~ TRAN_DFT_NC.c:402:16: warning: implicit declaration of function ‘Csys2blacs_handle’ [-Wimplicit-function-declaration] 402 | bhandle2 = Csys2blacs_handle(MPI_CommWD2[myworld2]); | ^~~~~~~~~~~~~~~~~ TRAN_DFT_NC.c:404:5: warning: implicit declaration of function ‘Cblacs_gridinit’ [-Wimplicit-function-declaration] 404 | Cblacs_gridinit(&ictxt2, "Row", np_rows, np_cols); | ^~~~~~~~~~~~~~~ TRAN_DFT_NC.c:420:5: warning: implicit declaration of function ‘descinit_’ [-Wimplicit-function-declaration] 420 | descinit_(descS, &n, &n, &nblk, &nblk, &ZERO, &ZERO, &ictxt2, &na_rows, &info); | ^~~~~~~~~ TRAN_DFT_NC.c:568:5: warning: implicit declaration of function ‘Cfree_blacs_system_handle’ [-Wimplicit-function-declaration] 568 | Cfree_blacs_system_handle(bhandle2); | ^~~~~~~~~~~~~~~~~~~~~~~~~ TRAN_DFT_NC.c:569:5: warning: implicit declaration of function ‘Cblacs_gridexit’ [-Wimplicit-function-declaration] 569 | Cblacs_gridexit(ictxt2); | ^~~~~~~~~~~~~~~ mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c TRAN_Set_CentOverlap_NC.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c TRAN_Set_SurfOverlap_NC.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c TRAN_Calc_OneTransmission.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c TRAN_Main_Analysis.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c TRAN_Main_Analysis_NC.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c MTRAN_EigenChannel.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c TRAN_Channel_Functions.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c TRAN_Channel_Output.c TRAN_Channel_Output.c: In function ‘Print_CubeCData_MO’: TRAN_Channel_Output.c:127:7: warning: implicit declaration of function ‘strcmp’ [-Wimplicit-function-declaration] 127 | if (strcmp(op, "r") == 0) { cmd = 1; } | ^~~~~~ TRAN_Channel_Output.c:18:1: note: include ‘’ or provide a declaration of ‘strcmp’ 17 | #include "openmx_common.h" +++ |+#include 18 | TRAN_Channel_Output.c: In function ‘TRAN_Output_ChannelCube’: TRAN_Channel_Output.c:521:9: warning: implicit declaration of function ‘fsync’ [-Wimplicit-function-declaration] 521 | fsync(fd); | ^~~~~ mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c TRAN_Calc_CurrentDensity.c mpicc -O3 -fopenmp -Dkcomp -I/usr/include -I/usr/include/mkl -I/usr/include/x86_64-linux-gnu -I/usr/include/x86_64-linux-gnu/openblas-openmp -I/usr/include/x86_64-linux-gnu/openmpi -I/usr/include/elpa/elpa -fcommon -I./elpa-2018.05.001 -c TRAN_CDen_Main.c TRAN_CDen_Main.c: In function ‘TRAN_Current_OutPutCube’: TRAN_CDen_Main.c:826:11: warning: implicit declaration of function ‘fsync’ [-Wimplicit-function-declaration] 826 | fsync(fd); | ^~~~~ mpif90 -O3 -fopenmp -I/usr/include/x86_64-linux-gnu -I/usr/include -I/usr/include/elpa/elpa -I./elpa-2018.05.001 -c elpa1.f90 elpa1.f90:3345:62: 3345 | 2*n-1, 2*na, nblk, 2*nblk) | 1 Error: Type mismatch in argument ‘vmat_s’ at (1); passed COMPLEX(8) to REAL(8) elpa1.f90:3345:62: 3345 | 2*n-1, 2*na, nblk, 2*nblk) | 1 Error: Type mismatch in argument ‘vmat_t’ at (1); passed COMPLEX(8) to REAL(8) elpa1.f90:3157:24: 3157 | call MPI_Bcast(tmp1,nb*(nb+1)/2,MPI_REAL8,pcol(n),mpi_comm_cols,mpierr) | 1 ...... 3468 | call MPI_Bcast(tmp1,nb*(nb+1)/2,MPI_DOUBLE_COMPLEX,pcol(n),mpi_comm_cols,mpierr) | 2 Error: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). elpa1.f90:3180:27: 3180 | call MPI_Bcast(tmat1(1,i),l_row1-1,MPI_REAL8,pcol(n),mpi_comm_cols,mpierr) | 1 ...... 3468 | call MPI_Bcast(tmp1,nb*(nb+1)/2,MPI_DOUBLE_COMPLEX,pcol(n),mpi_comm_cols,mpierr) | 2 Error: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). elpa1.f90:3185:24: 3185 | call MPI_Bcast(tmat2(1,l_col1),(l_cols-l_col1+1)*nblk,MPI_REAL8,prow(n),mpi_comm_rows,mpierr) | 1 ...... 3468 | call MPI_Bcast(tmp1,nb*(nb+1)/2,MPI_DOUBLE_COMPLEX,pcol(n),mpi_comm_cols,mpierr) | 2 Error: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). elpa1.f90:3012:24: 3012 | call MPI_Bcast(tmp1,nblk*(nblk+1)/2,MPI_REAL8,pcol(n),mpi_comm_cols,mpierr) | 1 ...... 3468 | call MPI_Bcast(tmp1,nb*(nb+1)/2,MPI_DOUBLE_COMPLEX,pcol(n),mpi_comm_cols,mpierr) | 2 Error: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). elpa1.f90:3029:27: 3029 | call MPI_Bcast(tmatc(l_colx,i),l_cols-l_colx+1,MPI_REAL8,prow(n),mpi_comm_rows,mpierr) | 1 ...... 3468 | call MPI_Bcast(tmp1,nb*(nb+1)/2,MPI_DOUBLE_COMPLEX,pcol(n),mpi_comm_cols,mpierr) | 2 Error: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). elpa1.f90:1728:24: 1728 | call MPI_Bcast(d(noff+1),nlen,MPI_REAL8,np,mpi_comm_rows,mpierr) | 1 ...... 3468 | call MPI_Bcast(tmp1,nb*(nb+1)/2,MPI_DOUBLE_COMPLEX,pcol(n),mpi_comm_cols,mpierr) | 2 Error: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). elpa1.f90:1730:24: 1730 | call MPI_Bcast(qmat2,max_size*max_size,MPI_REAL8,np,mpi_comm_rows,mpierr) | 1 ...... 3468 | call MPI_Bcast(tmp1,nb*(nb+1)/2,MPI_DOUBLE_COMPLEX,pcol(n),mpi_comm_cols,mpierr) | 2 Error: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). elpa1.f90:1182:37: 1182 | if(nc>0) call mpi_allreduce(h1,h2,nc,MPI_DOUBLE_COMPLEX,MPI_SUM,mpi_comm_rows,mpierr) | 1 ...... 2596 | call mpi_allreduce(z, tmp, n, MPI_REAL8, MPI_PROD, mpi_comm_rows, mpierr) | 2 Error: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). elpa1.f90:1182:40: 1182 | if(nc>0) call mpi_allreduce(h1,h2,nc,MPI_DOUBLE_COMPLEX,MPI_SUM,mpi_comm_rows,mpierr) | 1 ...... 2596 | call mpi_allreduce(z, tmp, n, MPI_REAL8, MPI_PROD, mpi_comm_rows, mpierr) | 2 Error: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). elpa1.f90:1203:28: 1203 | call mpi_allreduce(tmp1,tmp2,nstor*l_cols,MPI_DOUBLE_COMPLEX,MPI_SUM,mpi_comm_rows,mpierr) | 1 ...... 2596 | call mpi_allreduce(z, tmp, n, MPI_REAL8, MPI_PROD, mpi_comm_rows, mpierr) | 2 Error: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). elpa1.f90:1203:33: 1203 | call mpi_allreduce(tmp1,tmp2,nstor*l_cols,MPI_DOUBLE_COMPLEX,MPI_SUM,mpi_comm_rows,mpierr) | 1 ...... 2596 | call mpi_allreduce(z, tmp, n, MPI_REAL8, MPI_PROD, mpi_comm_rows, mpierr) | 2 Error: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). elpa1.f90:873:28: 873 | call mpi_allreduce(aux1,aux2,2,MPI_DOUBLE_COMPLEX,MPI_SUM,mpi_comm_rows,mpierr) | 1 ...... 2596 | call mpi_allreduce(z, tmp, n, MPI_REAL8, MPI_PROD, mpi_comm_rows, mpierr) | 2 Error: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). elpa1.f90:873:33: 873 | call mpi_allreduce(aux1,aux2,2,MPI_DOUBLE_COMPLEX,MPI_SUM,mpi_comm_rows,mpierr) | 1 ...... 2596 | call mpi_allreduce(z, tmp, n, MPI_REAL8, MPI_PROD, mpi_comm_rows, mpierr) | 2 Error: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). elpa1.f90:903:62: 903 | 1, 2*(istep-1), 1, 2*nblk) | 1 Error: Type mismatch in argument ‘vmat_s’ at (1); passed COMPLEX(8) to REAL(8) elpa1.f90:903:62: 903 | 1, 2*(istep-1), 1, 2*nblk) | 1 Error: Type mismatch in argument ‘vmat_t’ at (1); passed COMPLEX(8) to REAL(8) elpa1.f90:942:63: 942 | 2*(istep-1), 1, 2*nblk) | 1 Error: Type mismatch in argument ‘vmat_s’ at (1); passed COMPLEX(8) to REAL(8) elpa1.f90:942:63: 942 | 2*(istep-1), 1, 2*nblk) | 1 Error: Type mismatch in argument ‘vmat_t’ at (1); passed COMPLEX(8) to REAL(8) elpa1.f90:949:28: 949 | call mpi_allreduce(tmp,uc,l_cols,MPI_DOUBLE_COMPLEX,MPI_SUM,mpi_comm_rows,mpierr) | 1 ...... 2596 | call mpi_allreduce(z, tmp, n, MPI_REAL8, MPI_PROD, mpi_comm_rows, mpierr) | 2 Error: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). elpa1.f90:949:32: 949 | call mpi_allreduce(tmp,uc,l_cols,MPI_DOUBLE_COMPLEX,MPI_SUM,mpi_comm_rows,mpierr) | 1 ...... 2596 | call mpi_allreduce(z, tmp, n, MPI_REAL8, MPI_PROD, mpi_comm_rows, mpierr) | 2 Error: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). elpa1.f90:954:62: 954 | 1, 2*(istep-1), 1, 2*nblk) | 1 Error: Type mismatch in argument ‘vmat_s’ at (1); passed COMPLEX(8) to REAL(8) elpa1.f90:954:62: 954 | 1, 2*(istep-1), 1, 2*nblk) | 1 Error: Type mismatch in argument ‘vmat_t’ at (1); passed COMPLEX(8) to REAL(8) elpa1.f90:960:25: 960 | call mpi_allreduce(xc,vav,1,MPI_DOUBLE_COMPLEX,MPI_SUM,mpi_comm_cols,mpierr) | 1 ...... 2596 | call mpi_allreduce(z, tmp, n, MPI_REAL8, MPI_PROD, mpi_comm_rows, mpierr) | 2 Error: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). elpa1.f90:960:28: 960 | call mpi_allreduce(xc,vav,1,MPI_DOUBLE_COMPLEX,MPI_SUM,mpi_comm_cols,mpierr) | 1 ...... 2596 | call mpi_allreduce(z, tmp, n, MPI_REAL8, MPI_PROD, mpi_comm_rows, mpierr) | 2 Error: Type mismatch between actual argument at (1) and actual argument at (2) (COMPLEX(8)/REAL(8)). elpa1.f90:676:24: 676 | call MPI_Bcast(aux_bc,n_aux_bc,MPI_REAL8,np_bc,mpi_comm_cols,mpierr) | 1 ...... 3468 | call MPI_Bcast(tmp1,nb*(nb+1)/2,MPI_DOUBLE_COMPLEX,pcol(n),mpi_comm_cols,mpierr) | 2 Error: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). elpa1.f90:717:31: 717 | call mpi_reduce(tmp1,tmp2,nstor*(lce-lcs+1),MPI_REAL8,MPI_SUM,np,mpi_comm_rows,mpierr) | 1 ...... 1413 | call mpi_reduce(tmp1,tmp2,nstor*(lce-lcs+1),MPI_DOUBLE_COMPLEX,MPI_SUM,np,mpi_comm_rows,mpierr) | 2 Error: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). elpa1.f90:717:36: 717 | call mpi_reduce(tmp1,tmp2,nstor*(lce-lcs+1),MPI_REAL8,MPI_SUM,np,mpi_comm_rows,mpierr) | 1 ...... 1413 | call mpi_reduce(tmp1,tmp2,nstor*(lce-lcs+1),MPI_DOUBLE_COMPLEX,MPI_SUM,np,mpi_comm_rows,mpierr) | 2 Error: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). elpa1.f90:460:24: 460 | call MPI_Bcast(hvb,nb,MPI_REAL8,cur_pcol,mpi_comm_cols,mpierr) | 1 ...... 3468 | call MPI_Bcast(tmp1,nb*(nb+1)/2,MPI_DOUBLE_COMPLEX,pcol(n),mpi_comm_cols,mpierr) | 2 Error: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). elpa1.f90:217:21: 217 | call MPI_Bcast(vr,l_rows+1,MPI_REAL8,pcol(istep),mpi_comm_cols,mpierr) | 1 ...... 3468 | call MPI_Bcast(tmp1,nb*(nb+1)/2,MPI_DOUBLE_COMPLEX,pcol(n),mpi_comm_cols,mpierr) | 2 Error: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). elpa1.f90:282:25: 282 | call mpi_allreduce(x,vav,1,MPI_REAL8,MPI_SUM,mpi_comm_cols,mpierr) | 1 ...... 2596 | call mpi_allreduce(z, tmp, n, MPI_REAL8, MPI_PROD, mpi_comm_rows, mpierr) | 2 Error: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) elpa1.f90:282:27: 282 | call mpi_allreduce(x,vav,1,MPI_REAL8,MPI_SUM,mpi_comm_cols,mpierr) | 1 ...... 2596 | call mpi_allreduce(z, tmp, n, MPI_REAL8, MPI_PROD, mpi_comm_rows, mpierr) | 2 Error: Rank mismatch between actual argument at (1) and actual argument at (2) (rank-1 and scalar) elpa1.f90:3714:24: 3468 | call MPI_Bcast(tmp1,nb*(nb+1)/2,MPI_DOUBLE_COMPLEX,pcol(n),mpi_comm_cols,mpierr) | 2 ...... 3714 | call MPI_Bcast(aux,nblks_comm*nblk*nvc,MPI_REAL8,ips,comm_s,mpierr) | 1 Error: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). elpa1.f90:3810:33: 1413 | call mpi_reduce(tmp1,tmp2,nstor*(lce-lcs+1),MPI_DOUBLE_COMPLEX,MPI_SUM,np,mpi_comm_rows,mpierr) | 2 ...... 3810 | if(k>0) call mpi_reduce(aux1,aux2,k,MPI_REAL8,MPI_SUM,ipt,comm_t,mpierr) | 1 Error: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). elpa1.f90:3810:38: 1413 | call mpi_reduce(tmp1,tmp2,nstor*(lce-lcs+1),MPI_DOUBLE_COMPLEX,MPI_SUM,np,mpi_comm_rows,mpierr) | 2 ...... 3810 | if(k>0) call mpi_reduce(aux1,aux2,k,MPI_REAL8,MPI_SUM,ipt,comm_t,mpierr) | 1 Error: Type mismatch between actual argument at (1) and actual argument at (2) (REAL(8)/COMPLEX(8)). make: *** [makefile:920: elpa1.o] エラー 1