Re: [AMBER] [EXTERNAL] Release of AmberTools21

From: Gustaf Olsson <gustaf.olsson.lnu.se>
Date: Mon, 10 May 2021 14:41:35 +0000

Fresh extract and configuratipn using gfortran-11 with clang produced the following (and mor e) so I suppose there are some things which will not work with gcc/gfortran11 just yet.

 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

________________________________
Från: Gustaf Olsson <gustaf.olsson.lnu.se>
Skickat: den 10 maj 2021 15:11:25
Till: AMBER Mailing List
Ämne: Re: [AMBER] [EXTERNAL] Release of AmberTools21

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 Mon May 10 2021 - 08:00:03 PDT
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