Dear all,
I wrote pmemd compiled successfully instead of pmemd configurate
successfully, I am sorry for that.But from the replays I understood that the
path I have given is not right.So I gave the following paths.Then also it
shows PMEMD Configurate successfully completed.
( command - ./configure linux_em64t ifort intelmpi)
Please enter name of directory where Intel MKL files are installed:
/opt/intel/mkl/10.0.3.020/man/man3
File config_data/fft.pubfft being used...
File config_data/linux_em64t.ifort being used...
File config_data/interconnect.intelmpi being used...
Please enter directory where intelmpi mpi files are installed:
/opt/intel/impi/3.1
PMEMD Configurate successfully completed.
(The intelmpi is installed in my system.There is an mpif.h file in the
include directory which is in the /opt/intel/impi/3.1directory )
Then I gave the next command 'make install',again it shows the following
massages at the end.*
*
*
*
*
*
fft1d.f90(186): (col. 8) remark: LOOP WAS VECTORIZED.
fft1d.f90(112): (col. 8) remark: LOOP WAS VECTORIZED.
/lib/cpp -traditional -P -I/opt/intel/impi/3.1/include -DPUBFFT -DMPI
-DDIRFRC_EFS -DDIRFRC_COMTRANS -DDIRFRC_NOVEC -DMKL -DFFTLOADBAL_2PROC
charmm.fpp charmm.f90
ifort -c -auto -tpp7 -xP -ip -O3 charmm.f90
ifort: command line remark #10148: option '-tp' not supported
fortcom: Error: charmm.f90, line 275: Declaration of module 'CHARMM_MOD'
conflicts with a previous declaration
module charmm_mod
-------^
fortcom: Error: charmm.f90, line 275: Declaration of routine 'CHARMM_MOD'
conflicts with a previous declaration
module charmm_mod
-------^
compilation aborted for charmm.f90 (code 1)
make[1]: *** [charmm.o] Error 1
make[1]: Leaving directory
`/storage/home/nsengupta/AMBER/amber10/src/pmemd/src'
make: *** [install] Error 2
I am expecting your valuable replay
Thanking You
Jaya*
*
On Thu, May 6, 2010 at 6:22 PM, Jason Swails <jason.swails.gmail.com> wrote:
> On Thu, May 6, 2010 at 8:22 AM, jaya c.jose <jayacjose.gmail.com> wrote:
>
> > Dear All,
> >
> > During the installation of Amber10 I faced a problem while installing the
> > PMEMD.I compiled it successfully but when I gave the command 'make
> install'
> > it prompts.
> >
>
> It sounds like configure worked properly, but that it failed to compile,
> since the message below is clearly an error. You should make sure that
> MPI_HOME is correctly set and that, like Professor Case said, MPI_INCLUDE
> points to an include directory that contains the file mpif.h .
>
> Also, if you have not edited the config.h file at all, you should use
> mpif90
> as your fortran compiler and your load variable. Can you send the config.h
> file you're using?
>
> All the best,
> Jason
>
>
> >
> > make[1]: Entering directory
> > `/storage/home/nsengupta/AMBER/amber10/src/pmemd/src'
> > /lib/cpp -traditional -P
> > -I/opt/intel/mkl/10.0.3.020/lib/em64t//include-DPUBFFT -DMPI
> > -DDIRFRC_EFS -DDIRFRC_COMTRANS -DDIRFRC_NOVEC -DMKL
> > -DFFTLOADBAL_2PROC pmemd_lib.fpp pmemd_lib.f90
> > pmemd_lib.fpp:40: error: mpif.h: No such file or directory
> > make[1]: *** [pmemd_lib.o] Error 1
> > make[1]: Leaving directory
> > `/storage/home/nsengupta/AMBER/amber10/src/pmemd/src'
> > make: *** [install] Error 2
> >
> > So how can I proceed from this point.
> >
> > Thanking You
> > Jaya
> > _______________________________________________
> > AMBER mailing list
> > 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
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
--
JAYA C.JOSE
JUNIOR RESEARCH FELLOW
PHYSICAL CHEMISTRY DIVISION
NATIONAL CHEMICAL LABORATORY
PUNE-411008
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Received on Fri May 07 2010 - 03:30:07 PDT
