Re: [AMBER-Developers] argument conventions problems in AmberTools/src/rism/amber_rism_interface.F90

From: David A Case via AMBER-Developers <amber-developers.ambermd.org>
Date: Tue, 28 Jun 2022 21:23:22 -0400

On Thu, Jun 23, 2022, Åke Sandgren via AMBER-Developers wrote:
>
>In subroutine rism_writeThermodynamicsDistributions there are some
>daxpy calls with bad arguments convetions.

Adding -fallow-argument-mismatch should allow compilation. But I'm unsure
why you see this problem with gfortran 11 and I don't. Are you compiling
lapack from source, or getting it from somewhere like openBLAS or MKL?

Older libraries (like lapack, and most mpi stacks) traditionally used
the convention that arguments were (opaque or void) pointers, and tons of code
makes use of this. Gfortran started making this an error at version 10, as
I recall. Someone can probably spend some time to make the warnings/errors
go away ( add -Wno-argument-mismatch to squelch the warnings as well). The
MPI problem is going to be more troublesome, although replacing all "#include
mpif.h" instances with "use mpi" may do the trick..

But thanks for the note....dac


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Received on Thu Aug 04 2022 - 13:34:16 PDT
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