Hi Jun,
You cannot use the ifort config.h with gfortran. Use mpif90 - make sure your
mpi installation was built for ifort and mpif90 -show implies this. If
mpif90 points to gfortran then you will need to recompile your mpi to use
ifort. Alternatively you need to rerun the configure script and tell it to
use gfortran.
All the best
Ross
> -----Original Message-----
> From: amber-bounces.ambermd.org [mailto:amber-bounces.ambermd.org] On
> Behalf Of Jun Dong
> Sent: Friday, July 10, 2009 10:25 AM
> To: AMBER Mailing List
> Subject: RE: [AMBER] Need help for PMEMD 10 installation
>
> Dear Ross,
> Many thanks for your reply!
> I tried to compile by either mpif90 and mpicc or gfortran and gcc.
>
> make[1]: Entering directory
> `/raid/1/software/AMBER/amber10/src/pmemd/src'
> /lib/cpp -traditional -P -I/raid/1/software/AMBER/openmpi/include -
> DPUBFFT -DMPI -DSLOW_NONBLOCKING_MPI -DDIRFRC_EFS -DDIRFRC_COMTRANS -
> DDIRFRC_NOVEC -DMKL -DFFTLOADBAL_2PROC gbl_constants.fpp
> gbl_constants.f90
> gfortran -c -auto -tpp7 -xP -ip -O3 gbl_constants.f90
> gfortran: unrecognized option '-tpp7'
> gfortran: language P not recognized
> gfortran: language P not recognized
> gfortran: gbl_constants.f90: linker input file unused because linking
> not done
> /lib/cpp -traditional -P -I/raid/1/software/AMBER/openmpi/include -
> DPUBFFT -DMPI -DSLOW_NONBLOCKING_MPI -DDIRFRC_EFS -DDIRFRC_COMTRANS -
> DDIRFRC_NOVEC -DMKL -DFFTLOADBAL_2PROC gbl_datatypes.fpp
> gbl_datatypes.f90
> gfortran -c -auto -tpp7 -xP -ip -O3 gbl_datatypes.f90
> gfortran: unrecognized option '-tpp7'
> gfortran: language P not recognized
> gfortran: language P not recognized
> gfortran: gbl_datatypes.f90: linker input file unused because linking
> not done
>
> gfortran: axis_optimize.f90: linker input file unused because linking
> not done
> /lib/cpp -I/raid/1/software/AMBER/openmpi/include -DPUBFFT -DMPI -
> DSLOW_NONBLOCKING_MPI -DDIRFRC_EFS -DDIRFRC_COMTRANS -DDIRFRC_NOVEC -
> DMKL -DFFTLOADBAL_2PROC fft1d.fpp fft1d.f90
> mpif90 -c -auto -tpp7 -xP -ip -O3 fft1d.f90
> gfortran: unrecognized option '-tpp7'
> gfortran: language P not recognized
> gfortran: language P not recognized
> gfortran: fft1d.f90: linker input file unused because linking not done
> /lib/cpp -I/raid/1/software/AMBER/openmpi/include -DPUBFFT -DMPI -
> DSLOW_NONBLOCKING_MPI -DDIRFRC_EFS -DDIRFRC_COMTRANS -DDIRFRC_NOVEC -
> DMKL -DFFTLOADBAL_2PROC nextprmtop_section.fpp nextprmtop_section.f90
> mpif90 -c -auto -tpp7 -xP -ip -O3 nextprmtop_section.f90
> gfortran: unrecognized option '-tpp7'
> gfortran: language P not recognized
> gfortran: language P not recognized
> gfortran: nextprmtop_section.f90: linker input file unused because
> linking not done
>
> No luck, it looks like the fortran src doesn't like gfortran.
> Jun
>
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Received on Sat Jul 11 2009 - 01:08:08 PDT
