Re: [AMBER-Developers] sander/getcor.f

From: Jason Swails <jason.swails.gmail.com>
Date: Fri, 14 Jan 2011 00:30:43 -0500

Actually there was more than just that one occurrence of file names going
from 256 characters down to 80, so I patched those up as well.

However, my gfortran (4.5.2, Mac OS X) behaved just fine (though I think
it's a change that should be made, anyway, even if it's not the cause of
your problem).

All the best,
Jason

On Fri, Jan 14, 2011 at 12:20 AM, Jason Swails <jason.swails.gmail.com>wrote:

> I'm guessing it has to do with the fact that they're strings of different
> lengths... Does it work after the last commit?
>
> On the PBSA front, I had the following error trying to build parallel
> AmberTools just now:
>
> cd ../pbsa; make libinstall
> cpp -traditional -P -DBINTRAJ -DMPI -I/mpi/gnu-4.4/openmpi-1.4.1/include
> pb_force.f > _pb_force.f
> mpif90 -c -O3 -mtune=generic -ffree-form -o pb_force.o _pb_force.f
> _pb_force.f:885.69:
>
> call mpi_bcast(fineblockindex,mynblock,MPI_INTEGER,0,commsander,ierr)
> 1
> Error: Symbol 'commsander' at (1) has no IMPLICIT type
> _pb_force.f:885.56:
>
> call mpi_bcast(fineblockindex,mynblock,MPI_INTEGER,0,commsander,ierr)
> 1
> Error: Symbol 'mpi_integer' at (1) has no IMPLICIT type
> _pb_force.f:731.45:
>
> else if ( orphanblkn == 0 .or. mytaskid < numtasks-orphanblkn ) then
> 1
> Error: Symbol 'mytaskid' at (1) has no IMPLICIT type
> _pb_force.f:724.41:
>
> taskpiece = levelblock(2)/numtasks
> 1
> Error: Symbol 'numtasks' at (1) has no IMPLICIT type
> make[2]: *** [pb_force.o] Error 1
> make[1]: *** [libpbsa] Error 2
> make: *** [parallel] Error 2
>
> It seems as though building parallel nab is sneaking into PBSA's directory
> and trying to compile everything with -DMPI, which does not appear to
> actually be ready yet (is this accurate?)
>
> Thanks!
> Jason
>
>
> On Thu, Jan 13, 2011 at 9:49 PM, Mengjuei Hsieh <mengjueh.uci.edu> wrote:
>
>> Hi,
>>
>> After switching back to master tree, I've notice that I can't get
>> pass compiling getcor.o
>>
>> cpp -traditional -P -DMKL getcor.f > _getcor.f
>> ifort -c -O0 -FR -o getcor.o _getcor.f
>> _getcor.f(228): error #6633: The type of the actual argument differs from
>> the type of the dummy argument. [INPCRD]
>> call read_nc_restart(inpcrd,title1,ntx,nr,nr3,x,v,ltemp0,tt)
>> ---------------------------^
>>
>> Similar error also occours to my gfortran 4.5.
>>
>> Ideas?
>> --
>> Mengjuei
>>
>> _______________________________________________
>> AMBER-Developers mailing list
>> AMBER-Developers.ambermd.org
>> http://lists.ambermd.org/mailman/listinfo/amber-developers
>>
>
>
>
> --
> Jason M. Swails
> Quantum Theory Project,
> University of Florida
> Ph.D. Graduate Student
> 352-392-4032
>



-- 
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Graduate Student
352-392-4032
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Received on Thu Jan 13 2011 - 22:00:03 PST
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