[Pw_forum] [*] Re: [qe-gpu]

Anubhav Kumar kanubhav at iitk.ac.in
Wed May 27 09:31:38 CEST 2015


Dear Filippo

Thank you very much for your fast reply.
I rerun configure and make after clean as you suggested.But now i am
getting the following error

rdiaghg.f90:78.22:

END SUBROUTINE rdiaghg
                      1
Error: Expected label 'rdiaghg_compute' for END SUBROUTINE statement at (1)
rdiaghg.f90:81:

SUBROUTINE rdiaghg_compute( n, m, h, s, ldh, e, v )
1
Error: Unclassifiable statement at (1)
rdiaghg.f90:90.33:

  USE kinds,            ONLY : DP
                                 1
Error: Unexpected USE statement at (1)
rdiaghg.f90:91.39:

  USE mp,               ONLY : mp_bcast
                                       1
Error: Unexpected USE statement at (1)
rdiaghg.f90:92.66:

  USE mp_bands,         ONLY : me_bgrp, root_bgrp, intra_bgrp_comm
                                                                  1
Error: Unexpected USE statement at (1)
rdiaghg.f90:94.15:

  IMPLICIT NONE
               1
Error: Unexpected IMPLICIT NONE statement at (1)
rdiaghg.f90:96.26:

  INTEGER, INTENT(IN) :: n, m, ldh
                          1
Error: Symbol 'n' at (1) already has basic type of INTEGER
rdiaghg.f90:100.30:

  REAL(DP), INTENT(INOUT) :: h(ldh,n), s(ldh,n)
                              1
Error: Symbol 'h' at (1) already has basic type of REAL
rdiaghg.f90:104.28:

  REAL(DP), INTENT(OUT) :: e(n)
                            1
Error: Symbol 'e' at (1) already has basic type of REAL
rdiaghg.f90:106.28:

  REAL(DP), INTENT(OUT) :: v(ldh,m)
                            1
Error: Symbol 'v' at (1) already has basic type of REAL
rdiaghg.f90:109.52:

  INTEGER               :: i, j, lwork, nb, mm, info
                                                    1
Error: Unexpected data declaration statement at (1)
rdiaghg.f90:111.33:

  REAL(DP)              :: abstol
                                 1
Error: Unexpected data declaration statement at (1)
rdiaghg.f90:112.37:

  REAL(DP), PARAMETER   :: one = 1_DP
                                     1
Error: Unexpected data declaration statement at (1)
rdiaghg.f90:113.38:

  REAL(DP), PARAMETER   :: zero = 0_DP
                                      1
Error: Unexpected data declaration statement at (1)
rdiaghg.f90:114.45:

  INTEGER,  ALLOCATABLE :: iwork(:), ifail(:)
                                             1
Error: Unexpected data declaration statement at (1)
rdiaghg.f90:115.54:

  REAL(DP), ALLOCATABLE :: work(:), sdiag(:), hdiag(:)
                                                      1
Error: Unexpected data declaration statement at (1)
rdiaghg.f90:116.42:

  LOGICAL               :: all_eigenvalues
                                          1
Error: Unexpected data declaration statement at (1)
rdiaghg.f90:117.33:

  INTEGER,  EXTERNAL    :: ILAENV
                                 1
Error: Unexpected data declaration statement at (1)
rdiaghg.f90:128.15:

     ALLOCATE( sdiag( n ) )
               1
Error: Allocate-object at (1) is neither a data pointer nor an allocatable
varia                                     ble
rdiaghg.f90:130.25:

        sdiag(i) = s(i,i)
                         1
Error: Unexpected STATEMENT FUNCTION statement at (1)
rdiaghg.f90:149.15:

     ALLOCATE( work( lwork ) )
               1
Error: Allocate-object at (1) is neither a data pointer nor an allocatable
varia                                     ble
rdiaghg.f90:172.18:

        ALLOCATE( iwork( 5*n ) )
                  1
Error: Allocate-object at (1) is neither a data pointer nor an allocatable
varia                                     ble
rdiaghg.f90:173.18:

        ALLOCATE( ifail( n ) )
                  1
Error: Allocate-object at (1) is neither a data pointer nor an allocatable
varia                                     ble
rdiaghg.f90:177.18:

        ALLOCATE( hdiag( n ) )
                  1
Error: Allocate-object at (1) is neither a data pointer nor an allocatable
varia                                     ble
rdiaghg.f90:179.28:

           hdiag(i) = h(i,i)
                            1
Error: Unexpected STATEMENT FUNCTION statement at (1)
Fatal Error: Error count reached limit of 25.
make[1]: *** [rdiaghg.o] Error 1
make[1]: Leaving directory `/home/anubhav/Downloads/espresso-5.1.2/PW/src'
make: *** [pw-lib] Error 2

Can you please help me out?

> Dear Anubhav,
>
> make sure you clean properly before re-run configure and make
>
> make -f Makefile.gpu distclean
> ./configure ...
> make  -f Makefile.gpu pw-gpu
>
> F
>
> On May 27, 2015, at 8:54 AM, kanubhav at iitk.ac.in wrote:
>> Dear QE users
>>
>> I was configuring  qe-gpu 14.10.0 with espresso-5.1.2 on ubuntu 14.04
>> .Serial Configuration was successful, but when i run makefile, it gives
>> me
>> the following error
>>
>> /usr/bin/ld:
>> /home/anubhav/Downloads/espresso-5.1.2/GPU/..//qe-magma/lib/libmagma.a(ztrevc3_mt.o):
>> undefined reference to symbol '__cxa_pure_virtual@@CXXABI_1.3'
>> //usr/lib/x86_64-linux-gnu/libstdc++.so.6: error adding symbols: DSO
>> missing from command line
>> collect2: error: ld returned 1 exit status
>> make[1]: *** [pw-gpu.x] Error 1
>> make[1]: Leaving directory
>> `/home/anubhav/Downloads/espresso-5.1.2/GPU/PW'
>> make: *** [pw-gpu] Error 2
>>
>> As suggested in one the mail, i configured qe-gpu without magma.Then
>> after
>> running make file, i am getting the following error
>>
>> ../Modules/libqemodgpu.a(cuda_init.o): In function `initcudaenv_':
>> tmpxft_0000384c_00000000-3_cuda_init.cudafe1.cpp:(.text+0x8f0):
>> undefined
>> reference to `magma_init'
>> ../Modules/libqemodgpu.a(cuda_init.o): In function `closecudaenv_':
>> tmpxft_0000384c_00000000-3_cuda_init.cudafe1.cpp:(.text+0xa5a):
>> undefined
>> reference to `magma_finalize'
>> libpwgpu.a(cdiaghg_gpu.o): In function `cdiaghg_gpu_':
>> /home/anubhav/Downloads/espresso-5.1.2/GPU/PW/cdiaghg_gpu.f90:146:
>> undefined reference to `magmaf_zhegvx_'
>> collect2: error: ld returned 1 exit status
>> make[1]: *** [pw-gpu.x] Error 1
>> make[1]: Leaving directory
>> `/home/anubhav/Downloads/espresso-5.1.2/GPU/PW'
>> make: *** [pw-gpu] Error 2
>> Please someone help me out
>>
>> Anubhav Kumar
>> IITK
>>
>> _______________________________________________
>> Pw_forum mailing list
>> Pw_forum at pwscf.org
>> http://pwscf.org/mailman/listinfo/pw_forum
>
> --
> Mr. Filippo SPIGA, M.Sc.
> http://fspiga.github.io ~ skype: filippo.spiga
>
> «Nobody will drive us out of Cantor's paradise.» ~ David Hilbert
>
> *****
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