On Mon, May 17, 2010 at 11:58 AM, Sangita Kachhap <sangita.imtech.res.in>wrote:
>
> Hello,
>
> I am compiling amber10.I have compiled it serial successfully using fort
> compiler but when I am compiling parallel using openmpi and fort i am
> getting
> following error.
>
You are using ifort? You say fort, but I'm assuming you mean the intel
fortran compiler.
>
>
> make[1]: Entering directory `/home/sangita/amber10/src/sander'
> ./checkparconf
> cpp -traditional -I/home/sangita/openmpi64/include -P -DBINTRAJ -DMPI
> constants.f > _constants.f
> /home/sangita/openmpi64/bin/mpif90 -c -w95 -vec_report0 -mp1 -ip -O3 -axWP
> -FR
> -o constants.o _constants.f
>
> FORTRAN: unrecognized option '-w95'
> FORTRAN: unrecognized option '-vex_report0'
> f951: error: unrecognized command line option "-mp1"
> f951: error: unrecognized command line option "-ax WP"
>
I believe these are valid ifort command-line options. It looks as though
you may not be using the compiler you think you are... run this command and
send us what comes back:
mpif90 -show
I'm guessing this openmpi may not have grabbed the compiler you thought it
did when you installed it. If that does show that you are using ifort, go
in to the config_amber.h file and remove the unrecognized flags wherever
they occur (since they mean nothing to the compiler you're using).
Good luck!
Jason
make[1]: *** [constants.o] Error 1
> make[1]: Leaving directory `/home/sangria/amber10/SEC/sander'
> make: *** [parallel] Error 2
>
> I am not getting where is the problem so can anybody please help me.
>
>
> With regards
> Sangita Kachhap
> JRF
> BIC,IMTECH
> CHANDIGARH
>
> _______________________________________________
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> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-4032
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Received on Mon May 17 2010 - 11:30:05 PDT
