Thanks for reply
Then should I configure AmberTool-1.4 with intel compiler? Since I have configured
it with gnu compiler.
> 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
>
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
>
Sangita Kachhap
JRF
BIC,IMTECH
CHANDIGARH
_______________________________________________
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Received on Thu Sep 23 2010 - 10:30:03 PDT
