Hi Ross,
I downloaded a fresh one and it compiled. Thanks
Dian
On Fri, Apr 23, 2010 at 1:09 PM, Ross Walker <ross.rosswalker.co.uk> wrote:
> Hi Dian,
>
> > ifort: command line warning #10120: overriding '-O2' with '-O3'
> > 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)
>
> This makes no sense at all. It is complaining that line 275 of charmm.f90
> conflicts with itself. I suspect you did not do a make clean here. Try
> starting from a completely new Amber10.tar.bz2. Untar it and apply
> bugfix.all from http://ambermd.org/bugfixes10.html - download it fresh
> because there have been some recent changes. Then try compiling again. Edit
> the config.h file. Replace ifort with mpif90, icc with mpicc. Also remove
> the contents of the F90_OPT_HI line and replace it with '-fast'
>
> Also change the MPI_LIBS and MPI_LIBDIR entries to be blank. (Note all of
> these complexities building AMBER 10 pmemd are finally gone in the upcoming
> AMBER 11). Also remove and -DSLOW_NONBLOCKING_MPI if it is there.
>
> Then try again. If you still have problems try a newer version of the Intel
> compiler. I can confirm that ifort v10.1.018 works great.
>
> > similar thing by adding "-DCHARMM" at the end of same line, but it
> > didn't
> > help.
>
> There is no ifdef CHARMM option.
>
> > Actually, I don't need CHARMM at all, so I deleted object files that
> > related
> > to charmm, including charmm.o charmm_gold.o, from the the Makefile, but
> > still got the same error.
>
> The issue is much deeper than a simple issue with CHARMM here. The compiler
> looks to be very confused, either because of old module files hanging
> around
> or a broken version of the Intel compiler (not uncommen). Starting from a
> completely clean tree and applying the latest bugfix.all will likely go a
> long way to helping.
>
> All the best
> Ross
>
> /\
> \/
> |\oss Walker
>
> | Assistant Research Professor |
> | San Diego Supercomputer Center |
> | Tel: +1 858 822 0854 | EMail:- ross.rosswalker.co.uk |
> | http://www.rosswalker.co.uk | http://www.wmd-lab.org/ |
>
> Note: Electronic Mail is not secure, has no guarantee of delivery, may not
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>
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>
>
>
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Received on Fri Apr 23 2010 - 13:30:03 PDT
