[CP2K:7333] Re: CP2K compilation error - Error: Missing actual argument for argument 'mpi_comm_all' at (1)

[Ben Fotovich]

Hey Michael,

When I modify cp2k-3.0/arch/Linux-x86-64-gfortran.popt and change -D__ELPA2 
to -D__ELPA3, below is what happens when I try to compile:

/usr/local/openmpi-1.8.4/bin/mpif90 -D__FFTW3 -D__LIBINT -D__ELPA3 
-D__LIBINT_MAX_AM=7 -D__LIBDERIV_MAX_AM1=6 -D__MAX_CONTR=4 -D__parallel 
-D__SCALAPACK -O2 -ffast-math -ffree-form -ffree-line-length-none 
-ftree-vectorize -funroll-loops -mtune=native 
-I/usr/local/fftw-3.3.4/include -I/usr/local/libint-1.1.4/include 
-I/usr/local/elpa-2015.11.001/include/elpa/modules 
-D__COMPILE_ARCH="\"Linux-x86-64-gfortran\"" -D__COMPILE_DATE="\"Fri Jan 15 
09:11:28 MST 2016\"" -D__COMPILE_HOST="\"du-hpc\"" 
-D__COMPILE_REVISION="\"svn:16458\"" 
-D__DATA_DIR="\"/root/c/cp2k-3.0/data\"" -L -L/lib64 
-L/root/c/cp2k-3.0/lib/Linux-x86-64-gfortran/popt -o 
/root/c/cp2k-3.0/exe/Linux-x86-64-gfortran/dbcsr_performance_driver.popt 
dbcsr_performance_driver.o  -ldbcsr -ldbcsrarnoldi -ldbcsrvec -ldbcsrmm 
-ldbcsrops -ldbcsrbblock -ldbcsrbdist -ldbcsrbase -ldbcsrdata -ldbcsrerr 
-lcp2kmpiwrap -lmicsmm -lclsmm -lcp2kacc -lcp2kaccmic -lcp2kaccopencl 
-lcp2kbase /usr/local/scalapack-2.0.2-gcc/lib/libscalapack-gnu.a 
/usr/local/fftw-3.3.4/lib/libfftw3.a /usr/local/libint-1.1.4/lib/libderiv.a 
/usr/local/libint-1.1.4/lib/libint.a 
-L/usr/local/elpa-2015.11.001/lib/libelpa_openmp.a
/root/c/cp2k-3.0/lib/Linux-x86-64-gfortran/popt/libdbcsr.a(dbcsr_test_methods.o): 
In function `__dbcsr_test_methods_MOD_dbcsr_make_random_matrix':
dbcsr_test_methods.F:(.text+0x1198): undefined reference to `dlarnv_'
/root/c/cp2k-3.0/lib/Linux-x86-64-gfortran/popt/libdbcsrmm.a(dbcsr_mm_hostdrv.o): 
In function `__dbcsr_mm_hostdrv_MOD_blas_process_mm_stack_s':
dbcsr_mm_hostdrv.F:(.text+0x98): undefined reference to `sgemm_'
dbcsr_mm_hostdrv.F:(.text+0x109): undefined reference to `sgemm_'
dbcsr_mm_hostdrv.F:(.text+0x175): undefined reference to `sgemm_'
dbcsr_mm_hostdrv.F:(.text+0x1cb): undefined reference to `sgemm_'
/root/c/cp2k-3.0/lib/Linux-x86-64-gfortran/popt/libdbcsrmm.a(dbcsr_mm_hostdrv.o): 
In function `__dbcsr_mm_hostdrv_MOD_blas_process_mm_stack_d':
dbcsr_mm_hostdrv.F:(.text+0x288): undefined reference to `dgemm_'
dbcsr_mm_hostdrv.F:(.text+0x2f9): undefined reference to `dgemm_'
dbcsr_mm_hostdrv.F:(.text+0x365): undefined reference to `dgemm_'
dbcsr_mm_hostdrv.F:(.text+0x3bb): undefined reference to `dgemm_'
/root/c/cp2k-3.0/lib/Linux-x86-64-gfortran/popt/libdbcsrmm.a(dbcsr_mm_hostdrv.o): 
In function `__dbcsr_mm_hostdrv_MOD_blas_process_mm_stack_c':
dbcsr_mm_hostdrv.F:(.text+0x478): undefined reference to `cgemm_'
dbcsr_mm_hostdrv.F:(.text+0x4e9): undefined reference to `cgemm_'
dbcsr_mm_hostdrv.F:(.text+0x555): undefined reference to `cgemm_'
dbcsr_mm_hostdrv.F:(.text+0x5ab): undefined reference to `cgemm_'
/root/c/cp2k-3.0/lib/Linux-x86-64-gfortran/popt/libdbcsrmm.a(dbcsr_mm_hostdrv.o): 
In function `__dbcsr_mm_hostdrv_MOD_blas_process_mm_stack_z':
dbcsr_mm_hostdrv.F:(.text+0x678): undefined reference to `zgemm_'
dbcsr_mm_hostdrv.F:(.text+0x6ff): undefined reference to `zgemm_'
dbcsr_mm_hostdrv.F:(.text+0x77e): undefined reference to `zgemm_'
dbcsr_mm_hostdrv.F:(.text+0x7e6): undefined reference to `zgemm_'
/root/c/cp2k-3.0/lib/Linux-x86-64-gfortran/popt/libdbcsrops.a(dbcsr_blas_operations.o): 
In function `__dbcsr_blas_operations_MOD_dbcsr_lapack_larnv':
dbcsr_blas_operations.F:(.text+0x227): undefined reference to `slarnv_'
dbcsr_blas_operations.F:(.text+0x301): undefined reference to `dlarnv_'
/root/c/cp2k-3.0/lib/Linux-x86-64-gfortran/popt/libdbcsrops.a(dbcsr_operations.o): 
In function `__dbcsr_operations_MOD_dbcsr_trace_ab_d':
dbcsr_operations.F:(.text+0x13b7): undefined reference to `ddot_'
dbcsr_operations.F:(.text+0x1445): undefined reference to `cdotu_'
dbcsr_operations.F:(.text+0x1833): undefined reference to `zdotu_'
dbcsr_operations.F:(.text+0x18e3): undefined reference to `sdot_'
/root/c/cp2k-3.0/lib/Linux-x86-64-gfortran/popt/libdbcsrops.a(dbcsr_operations.o): 
In function `__dbcsr_operations_MOD_dbcsr_trace_ab_c':
dbcsr_operations.F:(.text+0x2726): undefined reference to `ddot_'
dbcsr_operations.F:(.text+0x27d0): undefined reference to `ddot_'
dbcsr_operations.F:(.text+0x28ae): undefined reference to `cdotu_'
dbcsr_operations.F:(.text+0x2985): undefined reference to `cdotu_'
dbcsr_operations.F:(.text+0x2dbd): undefined reference to `zdotu_'
dbcsr_operations.F:(.text+0x2e70): undefined reference to `zdotu_'
dbcsr_operations.F:(.text+0x2f56): undefined reference to `sdot_'
dbcsr_operations.F:(.text+0x300f): undefined reference to `sdot_'
/root/c/cp2k-3.0/lib/Linux-x86-64-gfortran/popt/libdbcsrops.a(dbcsr_operations.o): 
In function `__dbcsr_operations_MOD_dbcsr_trace_ab_s':
dbcsr_operations.F:(.text+0x4590): undefined reference to `ddot_'
dbcsr_operations.F:(.text+0x4624): undefined reference to `cdotu_'
dbcsr_operations.F:(.text+0x4a42): undefined reference to `zdotu_'
dbcsr_operations.F:(.text+0x4afd): undefined reference to `sdot_'
/root/c/cp2k-3.0/lib/Linux-x86-64-gfortran/popt/libdbcsrops.a(dbcsr_operations.o): 
In function `__dbcsr_operations_MOD_dbcsr_trace_ab_z':
dbcsr_operations.F:(.text+0x5fb5): undefined reference to `ddot_'
dbcsr_operations.F:(.text+0x606b): undefined reference to `ddot_'
dbcsr_operations.F:(.text+0x6136): undefined reference to `cdotu_'
dbcsr_operations.F:(.text+0x6577): undefined reference to `zdotu_'
dbcsr_operations.F:(.text+0x663e): undefined reference to `zdotu_'
dbcsr_operations.F:(.text+0x670d): undefined reference to `sdot_'
dbcsr_operations.F:(.text+0x67cf): undefined reference to `sdot_'
/root/c/cp2k-3.0/lib/Linux-x86-64-gfortran/popt/libdbcsrops.a(dbcsr_operations.o): 
In function `__dbcsr_operations_MOD_dbcsr_filter_anytype':
dbcsr_operations.F:(.text+0xd57f): undefined reference to `dznrm2_'
dbcsr_operations.F:(.text+0xd6bf): undefined reference to `sdot_'
dbcsr_operations.F:(.text+0xd79c): undefined reference to `ddot_'
dbcsr_operations.F:(.text+0xd89f): undefined reference to `scnrm2_'
/root/c/cp2k-3.0/lib/Linux-x86-64-gfortran/popt/libdbcsrops.a(dbcsr_operations.o): 
In function `__dbcsr_operations_MOD_dbcsr_init_random':
dbcsr_operations.F:(.text+0x11955): undefined reference to `dlarnv_'
dbcsr_operations.F:(.text+0x11a7f): undefined reference to `dcopy_'
dbcsr_operations.F:(.text+0x11b3c): undefined reference to `dcopy_'
/root/c/cp2k-3.0/lib/Linux-x86-64-gfortran/popt/libdbcsrbblock.a(dbcsr_block_access.o): 
In function `__dbcsr_block_access_MOD_dbcsr_put_block_c':
dbcsr_block_access.F:(.text+0x6de): undefined reference to `ccopy_'
dbcsr_block_access.F:(.text+0x1563): undefined reference to `caxpy_'
dbcsr_block_access.F:(.text+0x1c4c): undefined reference to `caxpy_'
dbcsr_block_access.F:(.text+0x1d23): undefined reference to `ccopy_'
/root/c/cp2k-3.0/lib/Linux-x86-64-gfortran/popt/libdbcsrbblock.a(dbcsr_block_access.o): 
In function `__dbcsr_block_access_MOD_dbcsr_put_block_s':
dbcsr_block_access.F:(.text+0x3025): undefined reference to `scopy_'
dbcsr_block_access.F:(.text+0x3cf0): undefined reference to `saxpy_'
dbcsr_block_access.F:(.text+0x431d): undefined reference to `saxpy_'
dbcsr_block_access.F:(.text+0x43f9): undefined reference to `scopy_'
/root/c/cp2k-3.0/lib/Linux-x86-64-gfortran/popt/libdbcsrbblock.a(dbcsr_block_access.o): 
In function `__dbcsr_block_access_MOD_dbcsr_put_block_z':
dbcsr_block_access.F:(.text+0x5661): undefined reference to `zcopy_'
dbcsr_block_access.F:(.text+0x63e6): undefined reference to `zaxpy_'
dbcsr_block_access.F:(.text+0x6ab7): undefined reference to `zaxpy_'
dbcsr_block_access.F:(.text+0x6b8f): undefined reference to `zcopy_'
/root/c/cp2k-3.0/lib/Linux-x86-64-gfortran/popt/libdbcsrbblock.a(dbcsr_block_access.o): 
In function `__dbcsr_block_access_MOD_dbcsr_put_block_d':
dbcsr_block_access.F:(.text+0x7d6a): undefined reference to `dcopy_'
dbcsr_block_access.F:(.text+0x88d8): undefined reference to `daxpy_'
dbcsr_block_access.F:(.text+0x8edd): undefined reference to `daxpy_'
dbcsr_block_access.F:(.text+0x8fb9): undefined reference to `dcopy_'
/usr/local/scalapack-2.0.2-gcc/lib/libscalapack-gnu.a(clarnv.o): In 
function `clarnv_':
clarnv.f:(.text+0x7a): undefined reference to `slaruv_'
clarnv.f:(.text+0x169): undefined reference to `slaruv_'
/usr/local/scalapack-2.0.2-gcc/lib/libscalapack-gnu.a(zlarnv.o): In 
function `zlarnv_':
zlarnv.f:(.text+0x7f): undefined reference to `dlaruv_'
zlarnv.f:(.text+0x165): undefined reference to `dlaruv_'
collect2: error: ld returned 1 exit status
make[3]: *** 
[/root/c/cp2k-3.0/exe/Linux-x86-64-gfortran/dbcsr_performance_driver.popt] 
Error 1

Thanks!

Ben

On Friday, January 15, 2016 at 2:52:05 AM UTC-7, Michael wrote:
>
> Hi, 
> g 
> On Thu, Jan 14, 2016 at 02:14:24PM -0800, Ben Fotovich wrote: 
> > I spoke too soon! 
> > 
> > Looking in elpa/src/elpa_c_interface.F90 
> > Line 117 shows: 
> > 
> > function solve_elpa2_evp_real_wrapper(na, nev, ncols, a, lda, ev, q, 
> ldq, 
> > nblk,    & 
> >                                   mpi_comm_rows, mpi_comm_cols, 
> > mpi_comm_all, & 
> >                                   THIS_REAL_ELPA_KERNEL_API, 
> > useQR)           & 
> >                                   result(success) 
> > bind(C,name="elpa_solve_evp_real_2stage") 
> > 
> > and line 141 shows: 
> > 
> > successFortran = solve_evp_real_2stage(na, nev, a, lda, ev, q, ldq, 
> nblk, 
> > mpi_comm_rows, mpi_comm_cols, mpi_comm_all, & 
> >                                            THIS_REAL_ELPA_KERNEL_API, 
> > useQRFortran) 
> > 
> > I may be misreading, but this looks like it is slightly different than 
> what 
> > was called from the CP2K code. Thoughts? 
>
> Indeed, ELPA changed interface between 2015.05 and 2015.11. As you are 
> using 2015.11, you should defined -D__ELPA3 instead of -D__ELPA2 I 
> believe, does that work? 
>
>
> Michael 
>
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