Sangita,
You need to type "./configure_openmpi intel" -- or whatever compiler
you are using (looks like intel though). The OpenMPI configuration
script is much like the AMBER configure script...
Best,
Paul
On Sep 23, 2010, at 9:50 AM, Sangita Kachhap wrote:
>
> Thanks to quick reply
> sorry for incomplete mail
>
> Error which I have got was :
>
> [sangita.localhost src]$ make parallel > amber-6.log &
> [1] 8628
> [sangita.localhost src]$ ifort: command line warning #10006:
> ignoring unknown
> option '-ffree-form'
> : error #5149: Illegal character in statement label field [m]
>
> : error #5149: Illegal character in statement label field [o]
>
> : error #5149: Illegal character in statement label field [d]
>
> : error #5149: Illegal character in statement label field [u]
>
> : error #5149: Illegal character in statement label field [l]
>
> : error #5118: First statement in file must not be continued
>
> _constants.f(223): error #5149: Illegal character in statement label
> field [i]
> integer, parameter :: RETIRED_INPUT_OPTION = -10301 ! first 5 digit
> palindromic
> prime
> ^
> _constants.f(223): error #5149: Illegal character in statement label
> field [n]
> integer, parameter :: RETIRED_INPUT_OPTION = -10301 ! first 5 digit
> palindromic
> prime
> -^
> _constants.f(223): error #5149: Illegal character in statement label
> field [t]
> integer, parameter :: RETIRED_INPUT_OPTION = -10301 ! first 5 digit
> palindromic
> prime
> --^
> _constants.f(223): error #5149: Illegal character in statement label
> field [e]
> integer, parameter :: RETIRED_INPUT_OPTION = -10301 ! first 5 digit
> palindromic
> prime
> ---^
> _constants.f(223): error #5149: Illegal character in statement label
> field [g]
> integer, parameter :: RETIRED_INPUT_OPTION = -10301 ! first 5 digit
> palindromic
> prime
> ----^
> _constants.f(224): error #5149: Illegal character in statement label
> field [i]
> integer, parameter :: NO_INPUT_VALUE = 12344321 ! from Bob Duke
> ^
> _constants.f(224): error #5149: Illegal character in statement label
> field [n]
> integer, parameter :: NO_INPUT_VALUE = 12344321 ! from Bob Duke
> -^
> _constants.f(224): error #5149: Illegal character in statement label
> field [t]
> integer, parameter :: NO_INPUT_VALUE = 12344321 ! from Bob Duke
> --^
> _constants.f(224): error #5149: Illegal character in statement label
> field [e]
> integer, parameter :: NO_INPUT_VALUE = 12344321 ! from Bob Duke
> ---^
> _constants.f(224): error #5149: Illegal character in statement label
> field [g]
> integer, parameter :: NO_INPUT_VALUE = 12344321 ! from Bob Duke
> ----^
> _constants.f(226): error #5149: Illegal character in statement label
> field [e]
> end module constants
> ^
> _constants.f(226): error #5149: Illegal character in statement label
> field [n]
> end module constants
> -^
> _constants.f(226): error #5149: Illegal character in statement label
> field [d]
> end module constants
> --^
> _constants.f(226): error #5149: Illegal character in statement label
> field [m]
> end module constants
> ----^
> _constants.f(223): error #5082: Syntax error, found ',' when
> expecting one of: (
> % : . = =>
> integer, parameter :: RETIRED_INPUT_OPTION = -10301 ! first 5 digit
> palindromic
> prime
> -------^
> _constants.f(223): error #5082: Syntax error, found '=' when
> expecting one of: (
> * ) :: , <END-OF-STATEMENT> ; + . - % (/ [ : ] /) . ** / // ...
> integer, parameter :: RETIRED_INPUT_OPTION = -10301 ! first 5 digit
> palindromic
> prime
> -------------------------------------------^
> _constants.f(227): error #5082: Syntax error, found END-OF-FILE when
> expecting
> one of: <END-OF-STATEMENT> ; <LABEL> BLOCK BLOCKDATA PROGRAM MODULE
> TYPE COMPLEX
> BYTE ...
>
> ^
> compilation aborted for _constants.f (code 1)
> make[1]: *** [constants.o] Error 1
> make: *** [parallel] Error 2
>
>
> mpif90 -show gave following output:
>
> ifort -I/home/sangita/mpich2-install/include
> -I/home/sangita/mpich2-install/include -L/home/sangita/mpich2-
> install/lib
> -L/home/sangita/mpich2-install/lib -lmpichf90 -lmpichf90 -lmpich -
> lopa -lpthread
> -lrt
>
>
> When I ran configure_openmpi it telles that compiler is not supported
>
> [sangita.localhost src]$ ./configure_openmpi
> Setting AMBERHOME to /home/sangita/amber11/AmberTools
>
> Architecture/compiler is not supported
>
> Usage: ./configure_openmpi [flags] compiler
>
> where compiler is one of:
>
> gnu (=gcc/gfortran), intel (=icc/ifort), pgi (=pgcc/pgf90),
> solaris (=cc/f90)
>
> Option flags:
> -static Create statically linked executables (not
> recommended for
> MacOSX)
>
> Note: See http://www.open-mpi.org/software/ompi/v1.4/ for
> information
> on how to obtain openmpi.
>
>
>
>> On Thu, Sep 23, 2010, Sangita Kachhap wrote:
>>>
>>> I have installed amber11 in serial using gnu compiler for
>>> AmberTool1.4. But when compiling it in parallel using same and
>>> mpicc of
>>> Mpich2 which I have installed in my home directory it is giving
>>> follwing
>>> error:
>>>
>>> compilation aborted for _constants.f (code 1)
>>> make[1]: *** [constants.o] Error 1
>>
>> We need more information about the error messages: there must have
>> been
>> something before the snippet you quote above.
>>
>> I think the constants.f is the first file that is compiled in a
>> parallel
>> install, so there is probably something wrong with the compiler.
>> Note that
>> constants.f is a fortran file, so the key quantity is mpif90, not
>> mpicc.
>> What does "mpif90 -show" report?
>>
>> The easiest and recommended path for parallel installations is to
>> run the
>> "configure_openmpi" script in $AMBERHOME/AmberTools/src, and to use
>> that
>> installation (which will automatically be in your PATH if your PATH
>> includes
>> $AMBERHOME/bin). We know that this is configured correctly, and
>> works for
>> all the compilers we support.
>>
>> The case where this won't work is if you have a specialized
>> interconnect (say,
>> infiniband) which is not supported by generic openmpi. Even then,
>> I would
>> recommend using "configure_openmpi" first, so that you will have a
>> baseline
>> and some experience, before trying to link to an external MPI
>> library.
>>
>> ....hope this helps....dac
>>
>>
>> _______________________________________________
>> AMBER mailing list
>> AMBER.ambermd.org
>> http://lists.ambermd.org/mailman/listinfo/amber
>>
>>
>
>
> Sangita Kachhap
> JRF
> BIC,IMTECH
> CHANDIGARH
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
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Received on Thu Sep 23 2010 - 10:00:07 PDT
