elk intallation on AMD

Elk Users
semran
2012-12-28
2013-06-11
  • semran

    semran - 2012-12-28

    Hi all,

    I would like to install elk code on AMD processor server. When I run the make.inc file with machine proper parameters, it gives error in LAPACK source codes. Here is the error ;

    ********************************************************************************************************
    Invalid declaration of or reference to symbol `kind' at (^)
    dlamch.f:39: warning:
                RMACH = Epsilon(xdbl)
                        ^
    Reference to unimplemented intrinsic `EPSILON' at (^) (assumed EXTERNAL)
    dlamch.f:42: warning:
                RMACH = Tiny(xdbl)
                        ^
    Reference to unimplemented intrinsic `TINY' at (^) (assumed EXTERNAL)
    dlamch.f:45: warning:
                RMACH = Radix(xdbl)
                        ^
    Reference to unimplemented intrinsic `RADIX' at (^) (assumed EXTERNAL)
    dlamch.f:51: warning:
                RMACH = Digits(xdbl)
                        ^
    Reference to unimplemented intrinsic `DIGITS' at (^) (assumed EXTERNAL)
    dlamch.f:58: warning:
                RMACH = Minexponent(xdbl)
                        ^
    Reference to unimplemented intrinsic `MINEXPONENT' at (^) (assumed EXTERNAL)
    dlamch.f:64: warning:
                RMACH = Maxexponent(xdbl)
                        ^
    Reference to unimplemented intrinsic `MAXEXPONENT' at (^) (assumed EXTERNAL)
    dlamch.f:67: warning:
                RMACH = Huge(xdbl)
                        ^
    Reference to unimplemented intrinsic `HUGE' at (^) (assumed EXTERNAL)
    make: ***  Error 1
    make: Leaving directory `/bin/elk-1.4.22/src/LAPACK'
    cp: cannot stat `lapack.a': No such file or directory

    *********************************************************************************************
    As I understood, machine double precision parameters are not suitable in dlamch.f. So I tried to use AMD LAPACK, namely ACML an link it in the make.inc file. But the error still exists. I am trying to configure elk with parallel capabiliy. MPICH2 works fine on the machine.

    Could you please guide me to be able to make this process? I really appreciate all any helps.

    Best regards,

    By the way, my server is:

    HP DL385p Gen8
    AMD processor
    Centos 6.3

     
  • semran

    semran - 2012-12-28

    I forgot to add my make.inc file.

    Here is this:

    MAKE = make
    F90 = mpif90
    #F90_OPTS = -O3 -fno-second-underscore
    F77 = mpif77
    #F77_OPTS = -O3 -fno-second-underscore
    AR = ar
    LIB_SYS =
    LIB_LPK = -L/opt/acml5.3.0/gfortran64/lib/libacml.a -lrt
    LIB_FFT = fftlib.a
    ***************************************************************************

    Could you please help me? Thanks.

     
  • Marcin Dulak

    Marcin Dulak - 2013-01-02

    I'm guessing you use the default gfortran compiler on CentOS 6 which is 4.4.6.
    What does it say?:
    mpif90 -version
    If so, use the corresponding acml 4.4.0:
    LIB_LPK = -L/pathtoacml440/lib/ -lacml -lacml_mv

    Each acml release works only with specific range of gfortran releases.
    The acml 4.4.0 is a bit hard to find, but still there:
    http://developer.amd.com/wordpress/media/files/acml-4-4-0-gfortran-64bit.tgz

     
  • semran

    semran - 2013-01-03

    Dear Marcindulak

    Thanks for your response. Here is the reply of my server when asked  mpif90 -version:
    GNU Fortran (GCC) 4.4.6 20120305 (Red Hat 4.4.6-4)

    Thanks. I will try and let you know the result.

    regards,

    ipek

     

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