AMBER Archive (2008)

Subject: RE: AMBER: Inconsistent types (INTEGER(4)/REAL(8)) - Is it serious ?

From: Ross Walker (ross_at_rosswalker.co.uk)
Date: Wed Jul 02 2008 - 17:30:21 CDT

Hi Arturas,

I see nothing wrong with this code, it is definitely allocated as an integer
in the first case and is being used in the bcast statement as mpi_integer -
so my guess would be that your mpi installation was not compiled with the
same compiler or compiler options as you are using to compile PMEMD. I.e.
perhaps the mpi installation was somehow built with default 64 bit integers
and amber is being build with 32 bit integers. This is just a guess though.
I would check what "mpif90 -show" returns - does it return the same compiler
as you are using for AMBER?

Another option would be to edit the config.h file for pmemd and replace the
fortran compiler with mpif90 and see if that helps - then at least it will
use the same compiler as was used for mpi.

I suspect that while you get an executable it will segfault as soon as you
run it. Although it may just be the compiler spitting out random warnings
for some reason. Run the test cases in parallel and see what happens.

All the best
Ross

> -----Original Message-----
> From: owner-amber_at_scripps.edu [mailto:owner-amber_at_scripps.edu] On Behalf
> Of Arturas Ziemys
> Sent: Wednesday, July 02, 2008 3:11 PM
> To: amber_at_scripps.edu
> Subject: AMBER: Inconsistent types (INTEGER(4)/REAL(8)) - Is it serious ?
>
> Hi,
>
> During compilation of Sander and PMED I've got warnings on basis of type
> casting (like example below) of function arguments. Is it serious ?
>
> ============================================================
> In file nmr_calls.f90:285
>
> call mpi_bcast(nmr_iwork, intreq, mpi_integer, &
> 1
> In file nmr_calls.f90:273
>
> call mpi_bcast(rwell, nmr_dat_dbl_cnt, mpi_double_precision, 0, &
> 2
> Warning (155): Inconsistent types (INTEGER(4)/REAL(8)) in actual
> argument lists at (1) and (2)
>
> ============================================================
>
> Arturas
>
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