Dear, dedevelopers and subscribers. I'm Jerry from Peking University. I configure by option ./configure and make by option make all. After that I run PW/examples/example01 (by option ./run_example) succesfully. and when I use the input file this example (al.scf.david.in) (by option pw.x <al.scf.david.in >scf.out). I run it successfully. and when I use the input file this example (al.scf.david.in) (by option mpirun -np 1 pw.x <al.scf.david.in >scf.out). I run it successfully.
The problem occurs when I run it (by option mpirun -np 2 pw.x <al.scf.david.in >scf.out). I get a write_line error. So I don't know what happened with my mpi parallel execution. I will attach my files here. Including config.log configure.msg and scf.out
--------------------------------------------------------------------------
Failed to register memory region (MR):
Hostname: wm1-login01
Address: 98769000
Length: 4194304
Error: Cannot allocate memory
--------------------------------------------------------------------------
--------------------------------------------------------------------------
Open MPI has detected that there are UD-capable Verbs devices on your
system, but none of them were able to be setup properly. This may
indicate a problem on this system.
You job will continue, but Open MPI will ignore the "ud" oob component
in this run.
Hostname: wm1-login01
--------------------------------------------------------------------------
from test_input_xml: input file not opened or empty
application called MPI_Abort(MPI_COMM_WORLD, 1) - process 0
[unset]: write_line error; fd=-1 buf=:cmd=abort exitcode=1
:
system msg for write_line failure : Bad file descriptor
forrtl: error (78): process killed (SIGTERM)
Image PC Routine Line Source
pw.x 0000000001001F1E Unknown Unknown Unknown
libpthread-2.17.s 00007FA56F8AC5F0 Unknown Unknown Unknown
libc-2.17.so 00007FA56F2C1D37 getrusage Unknown Unknown
pw.x 0000000000F26E5D Unknown Unknown Unknown
pw.x 0000000000F26BFB Unknown Unknown Unknown
pw.x 0000000000E34EFF Unknown Unknown Unknown
pw.x 0000000000A1AA18 Unknown Unknown Unknown
pw.x 00000000008319ED Unknown Unknown Unknown
pw.x 00000000007ACAAB Unknown Unknown Unknown
pw.x 00000000007ABE7A Unknown Unknown Unknown
pw.x 000000000086C4B4 Unknown Unknown Unknown
pw.x 000000000069C6FF Unknown Unknown Unknown
pw.x 000000000069ADB1 Unknown Unknown Unknown
pw.x 0000000000699427 Unknown Unknown Unknown
pw.x 000000000040D0AA Unknown Unknown Unknown
pw.x 000000000040A3ED Unknown Unknown Unknown
pw.x 000000000057E9AE Unknown Unknown Unknown
pw.x 00000000004074DF Unknown Unknown Unknown
pw.x 000000000040735E Unknown Unknown Unknown
libc-2.17.so 00007FA56F1EF505 __libc_start_main Unknown Unknown
pw.x 0000000000407269 Unknown Unknown Unknown
forrtl: error (78): process killed (SIGTERM)
Image PC Routine Line Source
pw.x 0000000001001F1E Unknown Unknown Unknown
libpthread-2.17.s 00007F6443BBF5F0 Unknown Unknown Unknown
libpthread-2.17.s 00007F6443BBE69E write Unknown Unknown
pw.x 0000000001018835 Unknown Unknown Unknown
pw.x 000000000101970E Unknown Unknown Unknown
pw.x 0000000001057D2E Unknown Unknown Unknown
pw.x 0000000000535DA9 Unknown Unknown Unknown
pw.x 0000000000536AF6 Unknown Unknown Unknown
pw.x 0000000000412300 Unknown Unknown Unknown
pw.x 000000000040A3ED Unknown Unknown Unknown
pw.x 000000000057E9AE Unknown Unknown Unknown
pw.x 00000000004074DF Unknown Unknown Unknown
pw.x 000000000040735E Unknown Unknown Unknown
libc-2.17.so 00007F6443502505 __libc_start_main Unknown Unknown
pw.x 0000000000407269 Unknown Unknown Unknown
forrtl: error (78): process killed (SIGTERM)
Image PC Routine Line Source
pw.x 0000000001001F1E Unknown Unknown Unknown
libpthread-2.17.s 00007FDAD78995F0 Unknown Unknown Unknown
libmkl_avx2.so 00007FDAD4258B23 Unknown Unknown Unknown
libmkl_avx2.so 00007FDAD4253DB4 mkl_dft_avx2_xzdf Unknown Unknown
libmkl_avx2.so 00007FDAD430530B mkl_dft_avx2_xzba Unknown Unknown
libmkl_avx2.so 00007FDAD3F9B29A mkl_dft_avx2_comp Unknown Unknown
pw.x 0000000000E37825 Unknown Unknown Unknown
pw.x 0000000000E37362 Unknown Unknown Unknown
pw.x 0000000000E346A7 Unknown Unknown Unknown
pw.x 0000000000A1AD0D Unknown Unknown Unknown
pw.x 00000000008317BF Unknown Unknown Unknown
pw.x 00000000007ACAAB Unknown Unknown Unknown
pw.x 00000000007ABE7A Unknown Unknown Unknown
pw.x 000000000086C4B4 Unknown Unknown Unknown
pw.x 000000000069C6FF Unknown Unknown Unknown
pw.x 000000000069ADB1 Unknown Unknown Unknown
pw.x 0000000000699427 Unknown Unknown Unknown
pw.x 000000000040D0AA Unknown Unknown Unknown
pw.x 000000000040A3ED Unknown Unknown Unknown
pw.x 000000000057E9AE Unknown Unknown Unknown
pw.x 00000000004074DF Unknown Unknown Unknown
pw.x 000000000040735E Unknown Unknown Unknown
libc-2.17.so 00007FDAD71DC505 __libc_start_main Unknown Unknown
pw.x 0000000000407269 Unknown Unknown Unknown
--------------------------------------------------------------------------
mpirun detected that one or more processes exited with non-zero status, thus
causing
the job to be terminated. The first process to do so was:
Process name: [[48104,1],1]
Exit code: 1
--------------------------------------------------------------------------
4scf.out
Description: Binary data
This file contains any messages produced by compilers while running configure, to aid debugging if configure makes a mistake. It was created by ESPRESSO configure 7.2, which was generated by GNU Autoconf 2.69. Invocation command line was $ ./install/configure ## --------- ## ## Platform. ## ## --------- ## hostname = wm1-login01.hpc.pku.edu.cn uname -m = x86_64 uname -r = 3.10.0-1062.el7.x86_64 uname -s = Linux uname -v = #1 SMP Wed Aug 7 18:08:02 UTC 2019 /usr/bin/uname -p = x86_64 /bin/uname -X = unknown /bin/arch = x86_64 /usr/bin/arch -k = unknown /usr/convex/getsysinfo = unknown /usr/bin/hostinfo = unknown /bin/machine = unknown /usr/bin/oslevel = unknown /bin/universe = unknown PATH: /gpfs/share/software/compilers/openmpi/3.0.0/intel/2018.0/bin PATH: /gpfs/share/home/2200011421/yambo520/yambo-5.2.0/lib/libxc/libxc-5.2.3/src PATH: /gpfs/share/software/tools/gnuplot/5.2.5/bin PATH: /gpfs/share/software/intel-2018.0/petsc/3.7.7/bin PATH: /gpfs/share/software/compilers/openmpi/3.0.0/intel/2018.0/bin PATH: /gpfs/share/software/intel-2018.0/netcdf/4.4.x-p/bin PATH: /gpfs/share/software/intel-2018.0/hdf5/1.8.9-p/bin PATH: /gpfs/share/software/intel/compilers_and_libraries_2018.0.128/linux/mpi/intel64/bin PATH: /gpfs/share/software/intel/compilers_and_libraries_2018.0.128/linux/bin/intel64 PATH: /gpfs/share/software/intel-2017.1/vasp/5.4.4/bin PATH: /gpfs/share/software/cuda/cuda-9.0/bin PATH: /gpfs/share/software/intel/compilers_and_libraries_2017.1.132/linux/mpi/intel64/bin PATH: /gpfs/share/software/intel/compilers_and_libraries_2017.1.132/linux/bin/intel64 PATH: /gpfs/share/software/intel/debugger_2017/gdb/intel64_mic/bin PATH: /gpfs/share/home/2200011421/vaspk/vaspkit.1.3.5/bin PATH: /home/vaspkit.1.00/bin PATH: /gpfs/share/home/2200011421/qe72/qe-7.2/QERaman-1.0/src PATH: /gpfs/share/home/2200011421/qe72/qe-7.2/bin PATH: /gpfs/share/home/2200011421/yambo520/yambo-5.2.0/bin PATH: /gpfs/share/home/2200011421/vaspk/vaspkit.1.3.5/bin PATH: /gpfs/share/home/2200011421/software/miniconda3/condabin PATH: /gpfs/share/home/2200011421/software/miniconda3/bin PATH: /usr/lib64/qt-3.3/bin PATH: /gpfs/share/software/module/bin PATH: /usr/local/bin PATH: /usr/bin PATH: /usr/local/sbin PATH: /usr/sbin PATH: /gpfs/share/home/2200011421/bin PATH: /gpfs/share/home/2200011421/spectro/Phonopy-Spectroscopy-master/scripts PATH: /gpfs/share/home/2200011421/vasphBN/phono3test/phonomaster/phono3py-master/scripts PATH: /gpfs/share/home/2200011421/yambo520/yambo-5.2.0/lib/libxc/libxc-5.2.3/src ## ----------- ## ## Core tests. ## ## ----------- ## configure:2180: checking build system type configure:2194: result: x86_64-pc-linux-gnu configure:2218: checking ARCH configure:2272: result: x86_64 configure:2292: checking setting AR... configure:2298: result: ar configure:2303: checking setting ARFLAGS... configure:2309: result: ruv configure:2391: checking for gfortran configure:2407: found /usr/bin/gfortran configure:2418: result: gfortran configure:2444: checking for Fortran compiler version configure:2453: gfortran --version >&5 GNU Fortran (GCC) 4.8.5 20150623 (Red Hat 4.8.5-39) Copyright (C) 2015 Free Software Foundation, Inc. GNU Fortran comes with NO WARRANTY, to the extent permitted by law. You may redistribute copies of GNU Fortran under the terms of the GNU General Public License. For more information about these matters, see the file named COPYING configure:2464: $? = 0 configure:2453: gfortran -v >&5 Using built-in specs. COLLECT_GCC=gfortran COLLECT_LTO_WRAPPER=/usr/libexec/gcc/x86_64-redhat-linux/4.8.5/lto-wrapper Target: x86_64-redhat-linux Configured with: ../configure --prefix=/usr --mandir=/usr/share/man --infodir=/usr/share/info --with-bugurl=http://bugzilla.redhat.com/bugzilla --enable-bootstrap --enable-shared --enable-threads=posix --enable-checking=release --with-system-zlib --enable-__cxa_atexit --disable-libunwind-exceptions --enable-gnu-unique-object --enable-linker-build-id --with-linker-hash-style=gnu --enable-languages=c,c++,objc,obj-c++,java,fortran,ada,go,lto --enable-plugin --enable-initfini-array --disable-libgcj --with-isl=/builddir/build/BUILD/gcc-4.8.5-20150702/obj-x86_64-redhat-linux/isl-install --with-cloog=/builddir/build/BUILD/gcc-4.8.5-20150702/obj-x86_64-redhat-linux/cloog-install --enable-gnu-indirect-function --with-tune=generic --with-arch_32=x86-64 --build=x86_64-redhat-linux Thread model: posix gcc version 4.8.5 20150623 (Red Hat 4.8.5-39) (GCC) configure:2464: $? = 0 configure:2453: gfortran -V >&5 gfortran: error: unrecognized command line option '-V' gfortran: fatal error: no input files compilation terminated. configure:2464: $? = 4 configure:2453: gfortran -qversion >&5 gfortran: error: unrecognized command line option '-qversion' gfortran: fatal error: no input files compilation terminated. configure:2464: $? = 4 configure:2479: checking whether the Fortran compiler works configure:2501: gfortran conftest.f >&5 configure:2505: $? = 0 configure:2553: result: yes configure:2556: checking for Fortran compiler default output file name configure:2558: result: a.out configure:2564: checking for suffix of executables configure:2571: gfortran -o conftest conftest.f >&5 configure:2575: $? = 0 configure:2597: result: configure:2613: checking whether we are cross compiling configure:2621: gfortran -o conftest conftest.f >&5 configure:2625: $? = 0 configure:2632: ./conftest configure:2636: $? = 0 configure:2651: result: no configure:2656: checking for suffix of object files configure:2672: gfortran -c conftest.f >&5 configure:2676: $? = 0 configure:2697: result: o configure:2705: checking whether we are using the GNU Fortran compiler configure:2718: gfortran -c conftest.F >&5 configure:2718: $? = 0 configure:2727: result: yes configure:2733: checking whether gfortran accepts -g configure:2744: gfortran -c -g conftest.f >&5 configure:2744: $? = 0 configure:2752: result: yes configure:2785: checking for Fortran flag to compile .f90 files configure:2805: gfortran -c -g -O2 conftest.f90 >&5 configure:2805: $? = 0 configure:2814: result: none configure:2999: checking for mpiifort configure:3015: found /gpfs/share/software/intel/compilers_and_libraries_2018.0.128/linux/mpi/intel64/bin/mpiifort configure:3026: result: mpiifort configure:3052: checking for Fortran compiler version configure:3061: mpiifort --version >&5 ifort (IFORT) 18.0.0 20170811 Copyright (C) 1985-2017 Intel Corporation. All rights reserved. configure:3072: $? = 0 configure:3061: mpiifort -v >&5 mpiifort for the Intel(R) MPI Library 2018 for Linux* Copyright(C) 2003-2017, Intel Corporation. All rights reserved. ifort version 18.0.0 configure:3072: $? = 0 configure:3061: mpiifort -V >&5 Intel(R) Fortran Intel(R) 64 Compiler for applications running on Intel(R) 64, Version 18.0.0.128 Build 20170811 Copyright (C) 1985-2017 Intel Corporation. All rights reserved. configure:3072: $? = 0 configure:3061: mpiifort -qversion >&5 ifort: command line warning #10006: ignoring unknown option '-qversion' /gpfs/share/software/intel/compilers_and_libraries_2018.0.128/linux/compiler/lib/intel64_lin/for_main.o: In function `main': for_main.c:(.text+0x2a): undefined reference to `MAIN__' configure:3072: $? = 1 configure:3081: checking whether we are using the GNU Fortran compiler configure:3094: mpiifort -c -g -O2 conftest.F >&5 conftest.F(3): error #5082: Syntax error, found END-OF-STATEMENT when expecting one of: => = . [ % ( : choke me ---------------^ compilation aborted for conftest.F (code 1) configure:3094: $? = 1 configure: failed program was: | program main | #ifndef __GNUC__ | choke me | #endif | | end configure:3103: result: no configure:3109: checking whether mpiifort accepts -g configure:3120: mpiifort -c -g conftest.f90 >&5 configure:3120: $? = 0 configure:3128: result: yes configure:3425: checking for C compiler version configure:3434: /gpfs/share/software/intel/compilers_and_libraries_2018.0.128/linux/bin/intel64/icc --version >&5 icc (ICC) 18.0.0 20170811 Copyright (C) 1985-2017 Intel Corporation. All rights reserved. configure:3445: $? = 0 configure:3434: /gpfs/share/software/intel/compilers_and_libraries_2018.0.128/linux/bin/intel64/icc -v >&5 icc version 18.0.0 (gcc version 4.8.5 compatibility) configure:3445: $? = 0 configure:3434: /gpfs/share/software/intel/compilers_and_libraries_2018.0.128/linux/bin/intel64/icc -V >&5 Intel(R) C Intel(R) 64 Compiler for applications running on Intel(R) 64, Version 18.0.0.128 Build 20170811 Copyright (C) 1985-2017 Intel Corporation. All rights reserved. configure:3445: $? = 0 configure:3434: /gpfs/share/software/intel/compilers_and_libraries_2018.0.128/linux/bin/intel64/icc -qversion >&5 icc: command line warning #10006: ignoring unknown option '-qversion' icc: command line error: no files specified; for help type "icc -help" configure:3445: $? = 1 configure:3449: checking whether we are using the GNU C compiler configure:3468: /gpfs/share/software/intel/compilers_and_libraries_2018.0.128/linux/bin/intel64/icc -c conftest.c >&5 configure:3468: $? = 0 configure:3477: result: yes configure:3486: checking whether /gpfs/share/software/intel/compilers_and_libraries_2018.0.128/linux/bin/intel64/icc accepts -g configure:3506: /gpfs/share/software/intel/compilers_and_libraries_2018.0.128/linux/bin/intel64/icc -c -g conftest.c >&5 configure:3506: $? = 0 configure:3547: result: yes configure:3564: checking for /gpfs/share/software/intel/compilers_and_libraries_2018.0.128/linux/bin/intel64/icc option to accept ISO C89 configure:3627: /gpfs/share/software/intel/compilers_and_libraries_2018.0.128/linux/bin/intel64/icc -c -g -O2 conftest.c >&5 configure:3627: $? = 0 configure:3640: result: none needed configure:4224: checking whether make sets $(MAKE) configure:4246: result: yes configure:4371: checking for library containing dgemm configure:4389: mpiifort -o conftest -g -O2 conftest.f90 >&5 /tmp/ifortxZbCps.o: In function `MAIN__': /gpfs/share/home/2200011421/qe72/qe-7.2/conftest.f90:2: undefined reference to `dgemm_' configure:4389: $? = 1 configure: failed program was: | program main | call dgemm | end configure:4389: mpiifort -o conftest -g -O2 conftest.f90 -lmkl_intel_lp64 -lmkl_sequential -lmkl_core >&5 configure:4389: $? = 0 configure:4406: result: -lmkl_intel_lp64 configure:5343: checking FFT configure:5747: result: configure:5943: checking MASS configure:6180: result: configure:6211: checking for library containing mpi_init configure:6229: mpiifort -o conftest -g -O2 conftest.f90 >&5 configure:6229: $? = 0 configure:6246: result: none required configure:6326: checking for library containing pdgemr2d configure:6344: mpiifort -o conftest -g -O2 conftest.f90 >&5 /tmp/ifortAJhbNU.o: In function `MAIN__': /gpfs/share/home/2200011421/qe72/qe-7.2/conftest.f90:2: undefined reference to `pdgemr2d_' configure:6344: $? = 1 configure: failed program was: | program main | call pdgemr2d | end configure:6344: mpiifort -o conftest -g -O2 conftest.f90 >&5 /tmp/ifortv72h8s.o: In function `MAIN__': /gpfs/share/home/2200011421/qe72/qe-7.2/conftest.f90:2: undefined reference to `pdgemr2d_' configure:6344: $? = 1 configure: failed program was: | program main | call pdgemr2d | end configure:6361: result: no configure:6381: checking for library containing pdgemr2d configure:6399: mpiifort -o conftest -g -O2 conftest.f90 -lmkl_intel_lp64 -lmkl_sequential -lmkl_core >&5 /tmp/ifortgZZQWX.o: In function `MAIN__': /gpfs/share/home/2200011421/qe72/qe-7.2/conftest.f90:2: undefined reference to `pdgemr2d_' configure:6399: $? = 1 configure: failed program was: | program main | call pdgemr2d | end configure:6399: mpiifort -o conftest -g -O2 conftest.f90 -lmkl_scalapack_lp64 -lmkl_blacs_openmpi_lp64 -lmkl_intel_lp64 -lmkl_sequential -lmkl_core >&5 /gpfs/share/software/intel/compilers_and_libraries_2018.0.128/linux/mkl/lib/intel64_lin/libmkl_blacs_openmpi_lp64.so: undefined reference to `ompi_mpi_comm_null' /gpfs/share/software/intel/compilers_and_libraries_2018.0.128/linux/mkl/lib/intel64_lin/libmkl_blacs_openmpi_lp64.so: undefined reference to `MPI_Comm_f2c' /gpfs/share/software/intel/compilers_and_libraries_2018.0.128/linux/mkl/lib/intel64_lin/libmkl_blacs_openmpi_lp64.so: undefined reference to `ompi_mpi_double' /gpfs/share/software/intel/compilers_and_libraries_2018.0.128/linux/mkl/lib/intel64_lin/libmkl_blacs_openmpi_lp64.so: undefined reference to `ompi_mpi_dblcplex' /gpfs/share/software/intel/compilers_and_libraries_2018.0.128/linux/mkl/lib/intel64_lin/libmkl_blacs_openmpi_lp64.so: undefined reference to `ompi_mpi_packed' /gpfs/share/software/intel/compilers_and_libraries_2018.0.128/linux/mkl/lib/intel64_lin/libmkl_blacs_openmpi_lp64.so: undefined reference to `ompi_mpi_op_max' /gpfs/share/software/intel/compilers_and_libraries_2018.0.128/linux/mkl/lib/intel64_lin/libmkl_blacs_openmpi_lp64.so: undefined reference to `ompi_mpi_op_maxloc' /gpfs/share/software/intel/compilers_and_libraries_2018.0.128/linux/mkl/lib/intel64_lin/libmkl_blacs_openmpi_lp64.so: undefined reference to `ompi_mpi_op_min' /gpfs/share/software/intel/compilers_and_libraries_2018.0.128/linux/mkl/lib/intel64_lin/libmkl_blacs_openmpi_lp64.so: undefined reference to `ompi_mpi_byte' /gpfs/share/software/intel/compilers_and_libraries_2018.0.128/linux/mkl/lib/intel64_lin/libmkl_blacs_openmpi_lp64.so: undefined reference to `ompi_mpi_comm_world' /gpfs/share/software/intel/compilers_and_libraries_2018.0.128/linux/mkl/lib/intel64_lin/libmkl_blacs_openmpi_lp64.so: undefined reference to `ompi_mpi_float' /gpfs/share/software/intel/compilers_and_libraries_2018.0.128/linux/mkl/lib/intel64_lin/libmkl_blacs_openmpi_lp64.so: undefined reference to `ompi_request_null' /gpfs/share/software/intel/compilers_and_libraries_2018.0.128/linux/mkl/lib/intel64_lin/libmkl_blacs_openmpi_lp64.so: undefined reference to `ompi_mpi_cplex' /gpfs/share/software/intel/compilers_and_libraries_2018.0.128/linux/mkl/lib/intel64_lin/libmkl_blacs_openmpi_lp64.so: undefined reference to `ompi_mpi_unsigned_short' /gpfs/share/software/intel/compilers_and_libraries_2018.0.128/linux/mkl/lib/intel64_lin/libmkl_blacs_openmpi_lp64.so: undefined reference to `MPI_Comm_c2f' /gpfs/share/software/intel/compilers_and_libraries_2018.0.128/linux/mkl/lib/intel64_lin/libmkl_blacs_openmpi_lp64.so: undefined reference to `ompi_mpi_double_int' /gpfs/share/software/intel/compilers_and_libraries_2018.0.128/linux/mkl/lib/intel64_lin/libmkl_blacs_openmpi_lp64.so: undefined reference to `ompi_mpi_int' /gpfs/share/software/intel/compilers_and_libraries_2018.0.128/linux/mkl/lib/intel64_lin/libmkl_blacs_openmpi_lp64.so: undefined reference to `ompi_mpi_long_long_int' /gpfs/share/software/intel/compilers_and_libraries_2018.0.128/linux/mkl/lib/intel64_lin/libmkl_blacs_openmpi_lp64.so: undefined reference to `ompi_mpi_integer' /gpfs/share/software/intel/compilers_and_libraries_2018.0.128/linux/mkl/lib/intel64_lin/libmkl_blacs_openmpi_lp64.so: undefined reference to `ompi_mpi_dblprec' /gpfs/share/software/intel/compilers_and_libraries_2018.0.128/linux/mkl/lib/intel64_lin/libmkl_blacs_openmpi_lp64.so: undefined reference to `MPI_Type_f2c' /gpfs/share/software/intel/compilers_and_libraries_2018.0.128/linux/mkl/lib/intel64_lin/libmkl_blacs_openmpi_lp64.so: undefined reference to `MPI_Op_f2c' /gpfs/share/software/intel/compilers_and_libraries_2018.0.128/linux/mkl/lib/intel64_lin/libmkl_blacs_openmpi_lp64.so: undefined reference to `ompi_mpi_op_sum' /gpfs/share/software/intel/compilers_and_libraries_2018.0.128/linux/mkl/lib/intel64_lin/libmkl_blacs_openmpi_lp64.so: undefined reference to `MPI_Op_c2f' /gpfs/share/software/intel/compilers_and_libraries_2018.0.128/linux/mkl/lib/intel64_lin/libmkl_blacs_openmpi_lp64.so: undefined reference to `ompi_mpi_real' /gpfs/share/software/intel/compilers_and_libraries_2018.0.128/linux/mkl/lib/intel64_lin/libmkl_blacs_openmpi_lp64.so: undefined reference to `MPI_Type_c2f' configure:6399: $? = 1 configure: failed program was: | program main | call pdgemr2d | end configure:6416: result: no configure:6433: checking for library containing pdgemr2d configure:6451: mpiifort -o conftest -g -O2 conftest.f90 -lsci >&5 ld: cannot find -lsci configure:6451: $? = 1 configure: failed program was: | program main | call pdgemr2d | end configure:6451: mpiifort -o conftest -g -O2 conftest.f90 -lsci >&5 ld: cannot find -lsci configure:6451: $? = 1 configure: failed program was: | program main | call pdgemr2d | end configure:6468: result: no configure:6483: checking for library containing pdgemr2d configure:6501: mpiifort -o conftest -g -O2 conftest.f90 -lscalapack >&5 ld: cannot find -lscalapack configure:6501: $? = 1 configure: failed program was: | program main | call pdgemr2d | end configure:6501: mpiifort -o conftest -g -O2 conftest.f90 -lscalapack >&5 ld: cannot find -lscalapack configure:6501: $? = 1 configure: failed program was: | program main | call pdgemr2d | end configure:6518: result: no configure:6534: checking for library containing pdgemr2d configure:6552: mpiifort -o conftest -g -O2 conftest.f90 -lscalapack -lblacs -lblacsF77init -lblacs >&5 ld: cannot find -lscalapack ld: cannot find -lblacs ld: cannot find -lblacsF77init ld: cannot find -lblacs configure:6552: $? = 1 configure: failed program was: | program main | call pdgemr2d | end configure:6552: mpiifort -o conftest -g -O2 conftest.f90 -lscalapack -lblacs -lblacsF77init -lblacs >&5 ld: cannot find -lscalapack ld: cannot find -lblacs ld: cannot find -lblacsF77init ld: cannot find -lblacs configure:6552: $? = 1 configure: failed program was: | program main | call pdgemr2d | end configure:6569: result: no configure:6587: checking for library containing pdgemr2d configure:6605: mpiifort -o conftest -g -O2 conftest.f90 -L/bgsys/local/scalapack/lib -lscalapack -L/bgsys/local/blacs/lib -lblacs -lblacsF77init -lblacs >&5 ld: cannot find -lscalapack ld: cannot find -lblacs ld: cannot find -lblacsF77init ld: cannot find -lblacs configure:6605: $? = 1 configure: failed program was: | program main | call pdgemr2d | end configure:6605: mpiifort -o conftest -g -O2 conftest.f90 -L/bgsys/local/scalapack/lib -lscalapack -L/bgsys/local/blacs/lib -lblacs -lblacsF77init -lblacs >&5 ld: cannot find -lscalapack ld: cannot find -lblacs ld: cannot find -lblacsF77init ld: cannot find -lblacs configure:6605: $? = 1 configure: failed program was: | program main | call pdgemr2d | end configure:6622: result: no configure:6674: checking ELPA configure:6750: result: configure:7257: checking for Environ configure:7283: result: not used configure:7303: result: checking if legacy plugins are enabled ... no configure:7340: checking for ranlib configure:7356: found /usr/bin/ranlib configure:7368: result: ranlib configure:7394: checking for wget configure:7410: found /usr/bin/wget configure:7421: result: wget -O configure:7480: checking for git configure:7496: found /usr/bin/git configure:7507: result: git configure:7688: creating ./config.status ## ---------------------- ## ## Running config.status. ## ## ---------------------- ## This file was extended by ESPRESSO config.status 7.2, which was generated by GNU Autoconf 2.69. Invocation command line was CONFIG_FILES = CONFIG_HEADERS = CONFIG_LINKS = CONFIG_COMMANDS = $ ./config.status on wm1-login01.hpc.pku.edu.cn config.status:858: creating install/make_lapack.inc config.status:858: creating include/configure.h config.status:858: creating make.inc config.status:858: creating configure.msg config.status:858: creating install/make_wannier90.inc config.status:858: creating include/qe_cdefs.h ## ---------------- ## ## Cache variables. ## ## ---------------- ## ac_cv_build=x86_64-pc-linux-gnu ac_cv_c_compiler_gnu=yes ac_cv_env_CC_set=set ac_cv_env_CC_value=/gpfs/share/software/intel/compilers_and_libraries_2018.0.128/linux/bin/intel64/icc ac_cv_env_CFLAGS_set= ac_cv_env_CFLAGS_value= ac_cv_env_CPPFLAGS_set= ac_cv_env_CPPFLAGS_value= ac_cv_env_EXTLIB_FLAGS_set= ac_cv_env_EXTLIB_FLAGS_value= ac_cv_env_FCFLAGS_set= ac_cv_env_FCFLAGS_value= ac_cv_env_FC_set= ac_cv_env_FC_value= ac_cv_env_LDFLAGS_set= ac_cv_env_LDFLAGS_value= ac_cv_env_LIBS_set= ac_cv_env_LIBS_value= ac_cv_env_build_alias_set= ac_cv_env_build_alias_value= ac_cv_env_host_alias_set= ac_cv_env_host_alias_value= ac_cv_env_target_alias_set= ac_cv_env_target_alias_value= ac_cv_fc_compiler_gnu=no ac_cv_fc_srcext_f90=none ac_cv_objext=o ac_cv_prog_ac_ct_FC=mpiifort ac_cv_prog_cc_c89= ac_cv_prog_cc_g=yes ac_cv_prog_fc_g=yes ac_cv_prog_git=git ac_cv_prog_make_make_set=yes ac_cv_prog_ranlib=ranlib ac_cv_prog_wget='wget -O' ac_cv_search_dgemm=-lmkl_intel_lp64 ac_cv_search_mpi_init='none required' ac_cv_search_pdgemr2d=no ## ----------------- ## ## Output variables. ## ## ----------------- ## CC='/gpfs/share/software/intel/compilers_and_libraries_2018.0.128/linux/bin/intel64/icc' CFLAGS='-g -O2' CPPFLAGS='' Configured for compilation of parallel executables.' DEFS='-DHAVE_CONFIG_H' ECHO_C='' ECHO_N='-n' ECHO_T='' EXEEXT='' EXTLIB_FLAGS='' FC='mpiifort' FCFLAGS='-g -O2' FCFLAGS_f90='' LDFLAGS='' LIBOBJS='' LIBS=' -L/bgsys/local/scalapack/lib -lscalapack -L/bgsys/local/blacs/lib -lblacs -lblacsF77init -lblacs' LIBS_LIBXC='' LTLIBOBJS='' OBJEXT='o' PACKAGE_BUGREPORT='' PACKAGE_NAME='ESPRESSO' PACKAGE_STRING='ESPRESSO 7.2' PACKAGE_TARNAME='espresso' PACKAGE_URL='' PACKAGE_VERSION='7.2' PATH_SEPARATOR=':' SET_MAKE='' SHELL='/bin/sh' ac_ct_CC='' ac_ct_FC='mpiifort' ar='ar' arch='x86_64' arflags='ruv' bindir='${exec_prefix}/bin' blas_libs=' -lmkl_intel_lp64 -lmkl_sequential -lmkl_core' blas_line='BLAS_LIBS= -lmkl_intel_lp64 -lmkl_sequential -lmkl_core' build='x86_64-pc-linux-gnu' build_alias='' build_cpu='x86_64' build_os='linux-gnu' build_vendor='pc' cc='/gpfs/share/software/intel/compilers_and_libraries_2018.0.128/linux/bin/intel64/icc' cflags='-O3' cpp='cpp' cppflags='-P -traditional -Uvector' cuda_cflags='' cuda_extlibs='devxlib' cuda_fflags='' cuda_libs='' cuda_runtime='' datadir='${datarootdir}' datarootdir='${prefix}/share' dflags=' -D__DFTI -D__MPI' docdir='${datarootdir}/doc/${PACKAGE_TARNAME}' dvidir='${docdir}' elpa_libs='' elpa_line='@delete@' environ_libs='' exec_prefix='${prefix}' extfox='' extlib_flags='' f90='ifort' f90flags='$(FFLAGS) -nomodule' f90rule='$(MPIF90) $(F90FLAGS) -c $<' fdflags='$(DFLAGS) $(MANUAL_DFLAGS)' fflags='-I/gpfs/share/home/2200011421/yambo520/yambo-5.2.0/lib/libxc/libxc-5.2.3/src/' fflags_nomain='-nofor_main' fflags_noopt='-O0 -assume byterecl -g -traceback' fft_libs='' fft_line='FFT_LIBS=' foxflags='' foxlibs='' foxmods='' git='git' gpu_arch='' hdf5_libs='' hdf5_line='' host_alias='' htmldir='${docdir}' iflags='-I. -I$(TOPDIR)/include -I/gpfs/share/software/intel/compilers_and_libraries_2018.0.128/linux/mkl/include' imod='-I' includedir='${prefix}/include' infodir='${datarootdir}/info' lapack_libs='' lapack_line='LAPACK_LIBS=' lapack_target='' ld='mpiifort' ld_libs='' ldflags=' ' libdir='${exec_prefix}/lib' libexecdir='${exec_prefix}/libexec' libxc_line='' localedir='${datarootdir}/locale' localstatedir='${prefix}/var' mandir='${datarootdir}/man' mass_libs='' mass_line='@delete@' mpi_libs='' mpi_line='@delete@' mpif90='mpiifort' oldincludedir='/usr/include' parallel_report='Parallel environment detected successfully.\ pdfdir='${docdir}' pre_fdflags='-fpp -allow nofpp_comments ' prefix='/usr/local' program_transform_name='s,x,x,' psdir='${docdir}' ranlib='ranlib' runstatedir='${localstatedir}/run' sbindir='${exec_prefix}/sbin' scalapack_libs='' scalapack_line='@delete@' sharedstatedir='${prefix}/com' sysconfdir='${prefix}/etc' target_alias='' topdir='/gpfs/share/home/2200011421/qe72/qe-7.2' wget='wget -O' ## ----------- ## ## confdefs.h. ## ## ----------- ## /* confdefs.h */ #define PACKAGE_NAME "ESPRESSO" #define PACKAGE_TARNAME "espresso" #define PACKAGE_VERSION "7.2" #define PACKAGE_STRING "ESPRESSO 7.2" #define PACKAGE_BUGREPORT "" #define PACKAGE_URL "" configure: exit 0
configure.msg
Description: Binary data
_______________________________________________ The Quantum ESPRESSO community stands by the Ukrainian people and expresses its concerns about the devastating effects that the Russian military offensive has on their country and on the free and peaceful scientific, cultural, and economic cooperation amongst peoples _______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
