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Reza Date: 2015/03/13 23:24 Name: Behjatmanesh Dear Users I have used intel cluster edition 2015 to compile openmx-3.7 on the CentOS 6.5 O.S. I used following compiler options and libraries: ============================ MKLROOT=/usr/mkl FC= /usr/composer_xe_2015.0.090/bin/intel64/ifort -O3 -openmp -I${MKLROOT}/include -I${MKLROOT}/include/fftw -I/usr/impi/5.0.1.035/include64 CC= /usr/composer_xe_2015.0.090/bin/intel64/icc -O3 -openmp -I${MKLROOT}/include -I${MKLROOT}/include/fftw -I/usr/impi/5.0.1.035/include64 LIB= -Wl,--start-group ${MKLROOT}/lib/intel64/libmkl_intel_lp64.a ${MKLROOT}/lib/intel64/libmkl_core.a ${MKLROOT}/lib/intel64/libmkl_intel_thread.a ${MKLROOT}/lib/intel64/libfftw3xc_intel.a -Wl,--end-group ${MKLROOT}/lib/intel64/libmkl_blacs_intelmpi_lp64.a -lpthread -lm ================================= But, I got following errors: -------- elpa1.f90:(.text+0x22a34): undefined reference to `mpi_comm_rank_' elpa1.f90:(.text+0x22a4f): undefined reference to `mpi_comm_size_' elpa1.f90:(.text+0x22a6a): undefined reference to `mpi_comm_rank_' elpa1.f90:(.text+0x22a89): undefined reference to `mpi_comm_size_' elpa1.f90:(.text+0x22bd0): undefined reference to `for_check_mult_overflow64' elpa1.f90:(.text+0x22c19): undefined reference to `for_alloc_allocatable' elpa1.f90:(.text+0x22cd3): undefined reference to `for_check_mult_overflow64' elpa1.f90:(.text+0x22d1c): undefined reference to `for_alloc_allocatable' elpa1.f90:(.text+0x22e2c): undefined reference to `for_check_mult_overflow64' elpa1.f90:(.text+0x22e6f): undefined reference to `for_alloc_allocatable' elpa1.f90:(.text+0x22f13): undefined reference to `for_check_mult_overflow64' elpa1.f90:(.text+0x22f58): undefined reference to `for_alloc_allocatable' elpa1.f90:(.text+0x2342d): undefined reference to `mpi_bcast_' elpa1.f90:(.text+0x23900): undefined reference to `mpi_bcast_' elpa1.f90:(.text+0x23c72): undefined reference to `for_dealloc_allocatable' elpa1.f90:(.text+0x23cd4): undefined reference to `for_dealloc_allocatable' elpa1.f90:(.text+0x23d30): undefined reference to `for_dealloc_allocatable' elpa1.f90:(.text+0x23d8c): undefined reference to `for_dealloc_allocatable' elpa1.f90:(.text+0x2427c): undefined reference to `for_write_seq_lis' elpa1.f90:(.text+0x24295): undefined reference to `mpi_abort_' elpa1.f90:(.text+0x2440c): undefined reference to `for_write_seq_lis' elpa1.f90:(.text+0x24425): undefined reference to `mpi_abort_' elpa1.o: In function `elpa1_mp_invert_trm_complex_': elpa1.f90:(.text+0x2493e): undefined reference to `mpi_comm_rank_' elpa1.f90:(.text+0x2495d): undefined reference to `mpi_comm_size_' elpa1.f90:(.text+0x2497c): undefined reference to `mpi_comm_rank_' elpa1.f90:(.text+0x2499b): undefined reference to `mpi_comm_size_' elpa1.f90:(.text+0x24aa6): undefined reference to `for_check_mult_overflow64' elpa1.f90:(.text+0x24ae8): undefined reference to `for_alloc_allocatable' elpa1.f90:(.text+0x24ba1): undefined reference to `for_check_mult_overflow64' elpa1.f90:(.text+0x24be3): undefined reference to `for_alloc_allocatable' elpa1.f90:(.text+0x24cf1): undefined reference to `for_check_mult_overflow64' elpa1.f90:(.text+0x24d33): undefined reference to `for_alloc_allocatable' elpa1.f90:(.text+0x24dce): undefined reference to `for_check_mult_overflow64' elpa1.f90:(.text+0x24e0a): undefined reference to `for_alloc_allocatable' elpa1.f90:(.text+0x25437): undefined reference to `mpi_bcast_' elpa1.f90:(.text+0x254d2): undefined reference to `mpi_bcast_' elpa1.f90:(.text+0x25677): undefined reference to `for_dealloc_allocatable' elpa1.f90:(.text+0x256d6): undefined reference to `for_dealloc_allocatable' elpa1.f90:(.text+0x25735): undefined reference to `for_dealloc_allocatable' elpa1.f90:(.text+0x2578e): undefined reference to `for_dealloc_allocatable' elpa1.f90:(.text+0x25a89): undefined reference to `mpi_bcast_' elpa1.f90:(.text+0x26a67): undefined reference to `for_write_seq_lis' elpa1.f90:(.text+0x26a80): undefined reference to `mpi_abort_' elpa1.o: In function `elpa_reduce_add_vectors_': elpa1.f90:(.text+0x26ef0): undefined reference to `mpi_comm_rank_' elpa1.f90:(.text+0x26f0a): undefined reference to `mpi_comm_size_' elpa1.f90:(.text+0x26f25): undefined reference to `mpi_comm_rank_' elpa1.f90:(.text+0x26f40): undefined reference to `mpi_comm_size_' elpa1.f90:(.text+0x2706b): undefined reference to `for_check_mult_overflow64' elpa1.f90:(.text+0x270a3): undefined reference to `for_alloc_allocatable' elpa1.f90:(.text+0x27110): undefined reference to `for_check_mult_overflow64' elpa1.f90:(.text+0x2714b): undefined reference to `for_alloc_allocatable' elpa1.f90:(.text+0x274fa): undefined reference to `mpi_reduce_' elpa1.f90:(.text+0x278b1): undefined reference to `for_dealloc_allocatable' elpa1.f90:(.text+0x27907): undefined reference to `for_dealloc_allocatable' solve_evp_real.o: In function `solve_evp_real_': solve_evp_real.f90:(.text+0xe0): undefined reference to `mpi_comm_rank_' solve_evp_real.f90:(.text+0x102): undefined reference to `mpi_comm_rank_' solve_evp_real.f90:(.text+0x17c): undefined reference to `for_check_mult_overflow64' solve_evp_real.f90:(.text+0x1ba): undefined reference to `for_alloc_allocatable' solve_evp_real.f90:(.text+0x227): undefined reference to `for_check_mult_overflow64' solve_evp_real.f90:(.text+0x265): undefined reference to `for_alloc_allocatable' solve_evp_real.f90:(.text+0x26c): undefined reference to `mpi_wtime_' solve_evp_real.f90:(.text+0x2c8): undefined reference to `mpi_wtime_' solve_evp_real.f90:(.text+0x326): undefined reference to `for_write_seq_lis' solve_evp_real.f90:(.text+0x34d): undefined reference to `for_write_seq_lis_xmit' solve_evp_real.f90:(.text+0x370): undefined reference to `mpi_wtime_' solve_evp_real.f90:(.text+0x3bc): undefined reference to `mpi_wtime_' solve_evp_real.f90:(.text+0x421): undefined reference to `for_write_seq_lis' solve_evp_real.f90:(.text+0x453): undefined reference to `for_write_seq_lis_xmit' solve_evp_real.f90:(.text+0x47f): undefined reference to `mpi_wtime_' solve_evp_real.f90:(.text+0x4c9): undefined reference to `mpi_wtime_' solve_evp_real.f90:(.text+0x52e): undefined reference to `for_write_seq_lis' solve_evp_real.f90:(.text+0x563): undefined reference to `for_write_seq_lis_xmit' solve_evp_real.f90:(.text+0x5cf): undefined reference to `for_dealloc_allocatable' solve_evp_real.f90:(.text+0x62e): undefined reference to `for_dealloc_allocatable' solve_evp_complex.o: In function `solve_evp_complex_': solve_evp_complex.f90:(.text+0x156): undefined reference to `mpi_comm_rank_' solve_evp_complex.f90:(.text+0x171): undefined reference to `mpi_comm_size_' solve_evp_complex.f90:(.text+0x194): undefined reference to `mpi_comm_rank_' solve_evp_complex.f90:(.text+0x1af): undefined reference to `mpi_comm_size_' solve_evp_complex.f90:(.text+0x2a1): undefined reference to `for_check_mult_overflow64' solve_evp_complex.f90:(.text+0x2e6): undefined reference to `for_alloc_allocatable' solve_evp_complex.f90:(.text+0x34e): undefined reference to `for_check_mult_overflow64' solve_evp_complex.f90:(.text+0x393): undefined reference to `for_alloc_allocatable' solve_evp_complex.f90:(.text+0x44e): undefined reference to `for_check_mult_overflow64' solve_evp_complex.f90:(.text+0x494): undefined reference to `for_alloc_allocatable' solve_evp_complex.f90:(.text+0x49b): undefined reference to `mpi_wtime_' solve_evp_complex.f90:(.text+0x4f9): undefined reference to `mpi_wtime_' solve_evp_complex.f90:(.text+0x557): undefined reference to `for_write_seq_lis' solve_evp_complex.f90:(.text+0x581): undefined reference to `for_write_seq_lis_xmit' solve_evp_complex.f90:(.text+0x5a4): undefined reference to `mpi_wtime_' solve_evp_complex.f90:(.text+0x602): undefined reference to `mpi_wtime_' solve_evp_complex.f90:(.text+0x660): undefined reference to `for_write_seq_lis' solve_evp_complex.f90:(.text+0x68a): undefined reference to `for_write_seq_lis_xmit' solve_evp_complex.f90:(.text+0x6ad): undefined reference to `mpi_wtime_' solve_evp_complex.f90:(.text+0x96c): undefined reference to `mpi_wtime_' solve_evp_complex.f90:(.text+0x9d1): undefined reference to `for_write_seq_lis' solve_evp_complex.f90:(.text+0xa06): undefined reference to `for_write_seq_lis_xmit' solve_evp_complex.f90:(.text+0xa6f): undefined reference to `for_dealloc_allocatable' solve_evp_complex.f90:(.text+0xacb): undefined reference to `for_dealloc_allocatable' solve_evp_complex.f90:(.text+0xb2a): undefined reference to `for_dealloc_allocatable' exx_log.o: In function `EXX_Log_StdOut': /root/openmx3.7/source/exx_log.c:55: undefined reference to `MPI_Comm_rank' exx_log.o: In function `EXX_Log_Open': /root/openmx3.7/source/exx_log.c:124: undefined reference to `MPI_Comm_rank' /root/openmx3.7/source/exx_log.c:125: undefined reference to `MPI_Comm_size' exx_log.o: In function `EXX_Error': /root/openmx3.7/source/exx_log.c:95: undefined reference to `MPI_Abort' exx_log.o: In function `EXX_Log_StdErr': /root/openmx3.7/source/exx_log.c:75: undefined reference to `MPI_Comm_rank' exx_step1.o: In function `EXX_Step1': /root/openmx3.7/source/exx_step1.c:68: undefined reference to `MPI_Comm_rank' /root/openmx3.7/source/exx_step1.c:69: undefined reference to `MPI_Comm_size' /root/openmx3.7/source/exx_step1.c:95: undefined reference to `MPI_Barrier' /root/openmx3.7/source/exx_step1.c:229: undefined reference to `MPI_Barrier' /root/openmx3.7/source/exx_step1.c:236: undefined reference to `MPI_Barrier' exx_step2.o: In function `EXX_Step2': /root/openmx3.7/source/exx_step2.c:370: undefined reference to `MPI_Comm_rank' /root/openmx3.7/source/exx_step2.c:371: undefined reference to `MPI_Comm_size' /root/openmx3.7/source/exx_step2.c:527: undefined reference to `MPI_Send' /root/openmx3.7/source/exx_step2.c:531: undefined reference to `MPI_Recv' /root/openmx3.7/source/exx_step2.c:537: undefined reference to `MPI_Recv' /root/openmx3.7/source/exx_step2.c:470: undefined reference to `MPI_Iprobe' /root/openmx3.7/source/exx_step2.c:476: undefined reference to `MPI_Recv' /root/openmx3.7/source/exx_step2.c:485: undefined reference to `MPI_Send' /root/openmx3.7/source/exx_step2.c:489: undefined reference to `MPI_Send' /root/openmx3.7/source/exx_step2.c:500: undefined reference to `MPI_Send' exx_file_overlap.o: In function `EXX_File_Overlap_Write': /root/openmx3.7/source/exx_file_overlap.c:41: undefined reference to `MPI_Comm_rank' /root/openmx3.7/source/exx_file_overlap.c:42: undefined reference to `MPI_Comm_size' /root/openmx3.7/source/exx_file_overlap.c:65: undefined reference to `MPI_Recv' /root/openmx3.7/source/exx_file_overlap.c:67: undefined reference to `MPI_Recv' /root/openmx3.7/source/exx_file_overlap.c:81: undefined reference to `MPI_Send' /root/openmx3.7/source/exx_file_overlap.c:83: undefined reference to `MPI_Send' exx_file_eri.o: In function `cachefile_path': /root/openmx3.7/source/exx_file_eri.c:20: undefined reference to `MPI_Comm_rank' /root/openmx3.7/source/exx_file_eri.c:20: undefined reference to `MPI_Comm_rank' /root/openmx3.7/source/exx_file_eri.c:20: undefined reference to `MPI_Comm_rank' /root/openmx3.7/source/exx_file_eri.c:20: undefined reference to `MPI_Comm_rank' /root/openmx3.7/source/exx_file_eri.c:20: undefined reference to `MPI_Comm_rank' exx_interface_openmx.o: In function `EXX_Fock_Cluster': /root/openmx3.7/source/exx_interface_openmx.c:770: undefined reference to `MPI_Comm_size' /root/openmx3.7/source/exx_interface_openmx.c:771: undefined reference to `MPI_Comm_rank' /root/openmx3.7/source/exx_interface_openmx.c:916: undefined reference to `MPI_Allreduce' /root/openmx3.7/source/exx_interface_openmx.c:918: undefined reference to `MPI_Allreduce' exx_interface_openmx.o: In function `EXX_Fock_Band': /root/openmx3.7/source/exx_interface_openmx.c:1055: undefined reference to `MPI_Comm_size' /root/openmx3.7/source/exx_interface_openmx.c:1056: undefined reference to `MPI_Comm_rank' /root/openmx3.7/source/exx_interface_openmx.c:1064: undefined reference to `MPI_Allgather' /root/openmx3.7/source/exx_interface_openmx.c:1065: undefined reference to `MPI_Allgather' /root/openmx3.7/source/exx_interface_openmx.c:1066: undefined reference to `MPI_Allgather' /root/openmx3.7/source/exx_interface_openmx.c:1067: undefined reference to `MPI_Allgather' /root/openmx3.7/source/exx_interface_openmx.c:1172: undefined reference to `MPI_Reduce' exx_interface_openmx.o: In function `EXX_Energy_Band': /root/openmx3.7/source/exx_interface_openmx.c:1245: undefined reference to `MPI_Comm_size' /root/openmx3.7/source/exx_interface_openmx.c:1246: undefined reference to `MPI_Comm_rank' /root/openmx3.7/source/exx_interface_openmx.c:1319: undefined reference to `MPI_Allreduce' exx_interface_openmx.o: In function `EXX_Reduce_DM': /root/openmx3.7/source/exx_interface_openmx.c:1349: undefined reference to `MPI_Comm_rank' /root/openmx3.7/source/exx_interface_openmx.c:1350: undefined reference to `MPI_Comm_size' /root/openmx3.7/source/exx_interface_openmx.c:1382: undefined reference to `MPI_Allreduce' exx_interface_openmx.o: In function `EXX_on_OpenMX_Init': /root/openmx3.7/source/exx_interface_openmx.c:65: undefined reference to `MPI_Comm_size' /root/openmx3.7/source/exx_interface_openmx.c:66: undefined reference to `MPI_Comm_rank' /root/openmx3.7/source/exx_interface_openmx.c:254: undefined reference to `MPI_Barrier' exx_debug.o: In function `EXX_Debug_Copy_DM': /root/openmx3.7/source/exx_debug.c:35: undefined reference to `MPI_Comm_rank' /root/openmx3.7/source/exx_debug.c:36: undefined reference to `MPI_Comm_size' /root/openmx3.7/source/exx_debug.c:83: undefined reference to `MPI_Allreduce' make: *** [openmx] Error 1 ------- Any help?

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Re: Reza ( No.1 ) Date: 2015/03/13 23:26 Name: Reza Sorry for wrong topic...

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