Dear Prof.Case,
I opened charmm.f90 file and found that all modules have the same name
"charmm_mod".The second module starting at the line275 with the declaration
"module charmm_mod" so I think it should be like that itself.
(First module is from line 52 to line 225 and line 225 is "end module
charmm_mod" )
I have given the following commands to apply bugfix
patch -p0 -N -r patch-rejects < bugfix.all
patch -p0 <bugfix.26 > chk
I changed the name of the directory where MKL files are installed as
"/opt/intel/mkl/10.0.3.020". <
http://10.0.3.020/man/man3> But now also it
showing the same error message
when giving the command "make install".
Thanking you
Jaya
On Sat, May 8, 2010 at 6:12 PM, case <case.biomaps.rutgers.edu> wrote:
> On Sat, May 08, 2010, jaya c.jose wrote:
> >
> > In the last step of Amber10 installation,during the installation of
> PMEMD
> > I faced some problems.I wrote before to amber mailing list and got some
> > instructions regarding this problem.From those I realised some mistakes
> and
> > gave the options as follows.Then 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
>
> This is almost certainly incorrect...leave off the "/man/man3" part.
>
> > /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
> > 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)
>
> It sounds like something went wrong in applying bugfix.26(?). You could
> examine the charmm.f90 file to see if anything obvious pops out. I think
> line 275 should say "end module charmm_mod", and the error message suggests
> that the "end" keyword is missing. How did you apply the bugfixes?
>
> ...dac
>
>
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Received on Mon May 10 2010 - 06:30:04 PDT
