Re: [AMBER] [EXTERNAL] Release of AmberTools21

From: Gerald Monard <gerald.monard.gmail.com>
Date: Wed, 12 May 2021 09:32:58 +0900

Hello,
I've just checked on Linux with gcc-11. It seems that only the
sebomd_module.F90 needs to be modified (the namelist starting at line 124
must be moved after the variable definitions).
With that (only) modification, it builds OK for me and at least the serial
tests are OK too.
.developers: I still need to verify that the workaround is OK for gcc < 11
before providing a patch.

Best,
Gerald.

On Tue, May 11, 2021 at 3:32 PM Gustaf Olsson <gustaf.olsson.lnu.se> wrote:

> Using gfortran-11 with clang produced the following and a lot more of
> these after a fresh extract and configuration.
>
> 124 | namelist /sebomd/ hamiltonian, &
> | 1
> Error: Symbol 'hamiltonian' in namelist 'sebomd' at (1) must be declared
> before the namelist is declared.
>
> /Users/guolaa/SOFTWARE/amber20_src/AmberTools/src/sander/sebomd_module.F90:125:28:
>
> 125 | modif, &
> | 1
> Error: Symbol 'modif' in namelist 'sebomd' at (1) must be declared before
> the namelist is declared.
>
> /Users/guolaa/SOFTWARE/amber20_src/AmberTools/src/sander/sebomd_module.F90:126:28:
>
> 126 | ncore, &
> | 1
> Error: Symbol 'ncore' in namelist 'sebomd' at (1) must be declared before
> the namelist is declared.
>
> /Users/guolaa/SOFTWARE/amber20_src/AmberTools/src/sander/sebomd_module.F90:127:29:
>
> 127 | dbuff1, &
> | 1
> Error: Symbol 'dbuff1' in namelist 'sebomd' at (1) must be declared before
> the namelist is declared.
>
> /Users/guolaa/SOFTWARE/amber20_src/AmberTools/src/sander/sebomd_module.F90:128:29:
>
> Best regards
> // Gustaf
>
> > On 10 May 2021, at 15:11, Gustaf Olsson <gustaf.olsson.lnu.se> wrote:
> >
> > Thank you for the tip, I’ll look into it when I find time.
> >
> > Best regards
> > // Gustaf
> >
> >> On 10 May 2021, at 15:06, David A Case <david.case.rutgers.edu> wrote:
> >>
> >> On Mon, May 10, 2021, Gustaf Olsson wrote:
> >>
> >>> BLAS_error.c:1:10: fatal error: 'stdio.h' file not found
> >>> #include <stdio.h>
> >>> ^~~~~~~~~
> >>
> >> You can run "VERBOSE=1 make" to get details of the compiler commands
> being
> >> issued. It's possible that xblas is not finding the correct C/C++
> compiler,
> >> but also that your compiler environment has weird behavior; not being
> able
> >> to include stdio.h would fall into the latter category.
> >>
> >> ....dac
> >>
> >>
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Received on Tue May 11 2021 - 18:00:03 PDT
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